A0A060CXG3_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060CXG3, Species MAIZE (Zea mays, Maize), Gene EREB115, Length 231 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.4Low61.8Low248 Ų248157.5 Ų157.5100%1.22289%0.89SS**  0103.20-76.5162.5154.100107.9
2C65.6Low61.3Low122 Ų122154.2 Ų154.282%0.82488%0.879SS**  trans-106.5152.4164-62.60000107.3
3P68.5Low61Low131 Ų131150.5 Ų150.585%0.85187%0.869SS**  -137.6139.6107.430.6-15.8000114.7
4T60.4Low60.9Low135 Ų135148.4 Ų148.483%0.82887%0.868SS**  trans-69.2147.5168.229.60000112.2K6T4-K6 PolarHBondContact O-N 3.5Å
5K69.1Low60.4Low211 Ų211145.5 Ų145.592%0.91786%0.855SS**  trans-80.9110.1178.4-172.7169.8179.1171.60110.6
6K72.2Confident59Low202 Ų202143.2 Ų143.288%0.87885%0.847SS**  trans-62.6149.1153.8-75.1173.2174.2176.20107.7T4T4-K6 PolarHBondContact O-N 3.5Å
7G52.6Low58.2Low70 Ų70149.7 Ų149.772%0.72285%0.854SS**  cis146.8124.518.800000104
8M65.8Low57.6Low201 Ų201147.1 Ų147.199%0.9985%0.847SS**  trans-127.1119172.5-75.7165.892.900108
9T58.3Low56.9Low149 Ų149144.6 Ų144.691%0.91485%0.845SS**  trans-96151.1-17733.50000111.5
10G52.8Low56.2Low73 Ų73143 Ų14375%0.75384%0.842SS**  trans112.3129.9160.900000112.9
11E55.3Low55.6Low190 Ų190141.2 Ų141.289%0.88884%0.844SS**  cis-154.5155.9-2.8-73.4-161.1104.200106.8
12P55.6Low54.8Low118 Ų118133.5 Ų133.577%0.76681%0.814SS**  trans-94.2175.2179.738-32.4000112.5
13S57Low53.6Low106 Ų106135 Ų13574%0.74182%0.82SS**  trans88.6105.1160.376.90000118
14S59.4Low52.5Low122 Ų122135.2 Ų135.285%0.85381%0.813SS**  trans-124.4112.9144.3-75.90000106.3
15P53.7Low52Low104 Ų104133.9 Ų133.968%0.67581%0.807SS**  trans-77.1141.3178.8-7.624.2000111.1R17P15-R17 PolarHBondContact O-N 3.21Å
16C38Very low51.2Low109 Ų109131.3 Ų131.374%0.73680%0.798SS**  trans-6114.7143.739.50000115.4S18C16-S18 PolarHBondContact O-N 3.39Å
17R46Very low50.5Low254 Ų254129.4 Ų129.496%0.95879%0.792SS**  trans-77.1100.1158.8-79.2177.9128.5-148.1-2108.1P15P15-R17 PolarHBondContact O-N 3.21Å
18S46.5Very low51Low103 Ų103128.2 Ų128.272%0.7277%0.767SS**  trans-57.2145.5171.8-58.50000112.2C16C16-S18 PolarHBondContact O-N 3.39Å
19A44.8Very low51.1Low99 Ų99122.8 Ų122.882%0.81874%0.74SS**  trans-51.8137.3172.400000112.4
20S43.7Very low52Low113 Ų113116.3 Ų116.379%0.7970%0.7SS**  trans-113.497.1155.4-59.50000106.3S22S20-S22 PolarHBondContact O-N 3.2Å
21A42.5Very low53Low105 Ų105113.7 Ų113.787%0.86867%0.669SS**  trans-73.896.9166.500000107.4
22S43.7Very low53.6Low87 Ų87112.7 Ų112.761%0.60866%0.657SS**  trans-112.5108.9168.5460000107.8S20 L24S20-S22 PolarHBondContact O-N 3.2Å; S22-L24 PolarHBondContact O-N 3.36Å
23T39.4Very low54.3Low154 Ų154110.7 Ų110.795%0.94564%0.643SS**  trans-59.794.7173.6-18.70000108.8
24L46.3Very low54.7Low134 Ų134106.6 Ų106.670%0.70262%0.615SS**  trans-129.4145.2173.9-91.1164.6000106.9S22 E26S22-L24 PolarHBondContact O-N 3.36Å; L24-E26 PolarHBondContact O-N 3.39Å
25P48.3Very low55Low108 Ų108106.2 Ų106.270%0.70161%0.609SS**SBendtrans-53.5130.9-171.624.7-33.9000109H27P25-H27 VanDerWaalsContact C-N 3.29Å; P25-H27 WeakPolarHBondContact O-CA 3.46Å; P25-H27 PolarHBondContact O-N 3.25Å
26E53.7Low55.6Low157 Ų157106.9 Ų106.973%0.73461%0.614SS**  trans-35.187.4-171.1-72.5177.9116.700112.4L24 H28L24-E26 PolarHBondContact O-N 3.39Å; E26-H28 VanDerWaalsContact C-N 3.33Å; E26-H28 PolarHBondContact O-N 3.14Å
27H57.9Low57Low162 Ų162107.2 Ų107.275%0.7560%0.603SS**  trans-8786.8-174.8-151.864.1000106.2P25 Q29P25-H27 VanDerWaalsContact C-N 3.29Å; P25-H27 WeakPolarHBondContact O-CA 3.46Å; P25-H27 PolarHBondContact O-N 3.25Å; H27-Q29 PolarHBondContact O-N 2.96Å; H27-Q29 VanDerWaalsContact O-N 3.11Å
28H62.7Low58.1Low44 Ų44105.7 Ų105.720%0.20460%0.597CS.*PPolyproline II helixtrans-56.9118.5175.2-61.6-71.9000108.6E26 T30 L109E26-H28 VanDerWaalsContact C-N 3.33Å; E26-H28 PolarHBondContact O-N 3.14Å; H28-T30 PolarHBondContact O-N 2.92Å; H28-T30 VanDerWaalsContact O-N 3.08Å; H28-L109 HydrophobicContact CB-CD1 4.29Å
29Q67.7Low58.9Low87 Ų87106.3 Ų106.341%0.40760%0.599SS.*EExtended strand (participates in β ladder)trans-62.4117.3179.9-171.9179.823.900108.4H27 T33 C107 C108 L109H27-Q29 PolarHBondContact O-N 2.96Å; H27-Q29 VanDerWaalsContact O-N 3.11Å; Q29-T33 WeakPolarHBondContact CG-OG1 3.32Å; Q29-C107 WeakPolarHBondContact CB-O 3.45Å; Q29-C108 VanDerWaalsContact O-CA 3.3Å; Q29-C108 WeakPolarHBondContact O-CA 3.44Å; Q29-L109 PolarHBondContact O-N 3Å; Q29-L109 VanDerWaalsContact O-N 3.15Å
30T78.2Confident59.7Low14 Ų14104.9 Ų104.99%0.08659%0.587CS.*EExtended strand (participates in β ladder)trans-95.3160.8178.258.40000111.6H28 W32 T33 S34 L109 A112H28-T30 PolarHBondContact O-N 2.92Å; H28-T30 VanDerWaalsContact O-N 3.08Å; T30-W32 PolarHBondContact O-N 3.05Å; T30-W32 VanDerWaalsContact O-N 3.13Å; T30-T33 PolarHBondContact N-OG1 3.34Å; T30-T33 PolarHBondContact O-N 3.28Å; T30-T33 PolarHBondContact O-OG1 3.27Å; T30-S34 PolarHBondContact O-N 2.77Å; T30-L109 CarbonylContact C-O 3.55Å; T30-L109 VanDerWaalsContact CA-O 3.23Å; T30-L109 WeakPolarHBondContact CA-O 3.39Å; T30-A112 HydrophobicContact CG2-CB 3.73Å; T30-A112 VanDerWaalsContact CG2-N 3.32Å
31V72.4Confident60.5Low17 Ų17103.5 Ų103.510%0.10359%0.59CS.*G310 helixtrans-50.4-36.7171.8171.30000112.4T33 S34 V52 R54 L109 N110V31-T33 VanDerWaalsContact C-N 3.28Å; V31-T33 PolarHBondContact O-N 2.69Å; V31-S34 PolarHBondContact O-N 3.49Å; V31-S34 VanDerWaalsContact O-N 3.16Å; V31-S34 PolarHBondContact O-OG 3.16Å; V31-V52 HydrophobicContact CG1-CG1 3.95Å; V31-V52 VanDerWaalsContact CG1-O 3.26Å; V31-V52 WeakPolarHBondContact CG1-O 3.34Å; V31-R54 HydrophobicContact CG2-CG 3.71Å; V31-L109 PolarHBondContact N-O 2.74Å; V31-L109 VanDerWaalsContact N-O 3.08Å; V31-N110 HydrophobicContact CG2-CB 4.44Å; V31-N110 VanDerWaalsContact CG2-OD1 3.28Å; V31-N110 WeakPolarHBondContact CG2-OD1 3.4Å
32W68.8Low61.6Low169 Ų169107.9 Ų107.964%0.6458%0.584SS**G310 helixtrans-65.8-28.7179.7-55.5102.4000113.7T30 V52 F53T30-W32 PolarHBondContact O-N 3.05Å; T30-W32 VanDerWaalsContact O-N 3.13Å; W32-V52 HydrophobicContact CE3-CG1 4.43Å; W32-V52 HydrophobicContact CH2-CG1 3.75Å; W32-V52 HydrophobicContact CZ2-CG1 3.86Å; W32-V52 HydrophobicContact CZ3-CG1 4.04Å; W32-F53 HydrophobicContact CZ2-CE1 4.29Å
33T69Low62.2Low77 Ų77109 Ų10947%0.47259%0.588SS.*G310 helixtrans-86.5-14.617663.40000113.1Q29 T30 V31Q29-T33 WeakPolarHBondContact CG-OG1 3.32Å; T30-T33 PolarHBondContact N-OG1 3.34Å; T30-T33 PolarHBondContact O-N 3.28Å; T30-T33 PolarHBondContact O-OG1 3.27Å; V31-T33 VanDerWaalsContact C-N 3.28Å; V31-T33 PolarHBondContact O-N 2.69Å
34S65.4Low63.1Low20 Ų20111.5 Ų111.514%0.1459%0.586CS.*SBendtrans-85.7140.7178.571.30000111.1T30 V31 R54T30-S34 PolarHBondContact O-N 2.77Å; V31-S34 PolarHBondContact O-N 3.49Å; V31-S34 VanDerWaalsContact O-N 3.16Å; V31-S34 PolarHBondContact O-OG 3.16Å; S34-R54 PolarHBondContact OG-NH2 3.38Å
35P65.6Low63.9Low113 Ų113112.5 Ų112.573%0.73458%0.584SS**PPolyproline II helixtrans-54.6139.1178.722.1-32.3000109.9K37P35-K37 PolarHBondContact O-N 2.77Å
36P66.5Low64.9Low119 Ų119118.2 Ų118.277%0.77359%0.592SS**PPolyproline II helixtrans-55.2135.5-172.822.6-33.4000109.7R38P36-R38 PolarHBondContact O-N 3.1Å
37K67.5Low65.9Low115 Ų115115.9 Ų115.950%0.558%0.581SS.*PPolyproline II helixtrans-55.6116.1177.6-174.9-175.7168-143.90107.6P35 E47P35-K37 PolarHBondContact O-N 2.77Å; K37-E47 IonicContact NZ-OE1 2.73Å; K37-E47 PolarHBondContact NZ-OE1 2.81Å
38R68.9Low67.3Low223 Ų223111.5 Ų111.584%0.84257%0.566SS**PPolyproline II helixtrans-51.9129.5179-64.5179.675.9173.14.2107.8P36 A40P36-R38 PolarHBondContact O-N 3.1Å; R38-A40 PolarHBondContact O-N 3.32Å
39P64.6Low68.5Low116 Ų116115.8 Ų115.875%0.75358%0.58SS**PPolyproline II helixtrans-54124.2174.122.6-31.6000106.4G41P39-G41 PolarHBondContact O-N 2.97Å
40A61.4Low69.6Low69 Ų69113.2 Ų113.257%0.5757%0.568SS**  trans-59.4112.8177.100000105.7R38 R42R38-A40 PolarHBondContact O-N 3.32Å; A40-R42 PolarHBondContact O-N 3.29Å
41G60.4Low69.9Low84 Ų84117.1 Ų117.187%0.86659%0.594SS**SBendtrans-63.218.5-173.700000115.1P39P39-G41 PolarHBondContact O-N 2.97Å
42R64.6Low70.7Confident196 Ų196118.9 Ų118.974%0.7460%0.604SS**  trans-98.688.8172-176.1155.9148.4169.3-7.6107.9A40A40-R42 PolarHBondContact O-N 3.29Å
43T58.1Low71.7Confident111 Ų111112.2 Ų112.268%0.68158%0.58SS**THydrogen-bonded Turntrans-51.4150.6163.958.30000108.5
44K57.7Low72.7Confident207 Ų207113.7 Ų113.790%0.958%0.577SS**THydrogen-bonded Turntrans73.420.816848.7-179.4168.1-179.60121
45F63.4Low73.9Confident154 Ų154114 Ų11468%0.67558%0.583SS**SBendtrans-110.5117.5152.8-165.5-104.7000108.2E47F45-E47 PolarHBondContact O-N 3.11Å
46R69.2Low75.3Confident228 Ų228108.9 Ų108.986%0.8655%0.55SS*.  trans-44.7103.6178.7-75.4-179171.3-179.8-2.5108.6T48R46-T48 PolarHBondContact O-N 2.67Å
47E75.1Confident76.5Confident109 Ų109106.9 Ų106.951%0.50953%0.527SS..  trans-68101.6-177.4-174.9163.5-164.400106.5K37 F45 R49K37-E47 IonicContact NZ-OE1 2.73Å; K37-E47 PolarHBondContact NZ-OE1 2.81Å; F45-E47 PolarHBondContact O-N 3.11Å; E47-R49 HydrophobicContact CG-CB 4.13Å; E47-R49 PolarHBondContact O-N 3.31Å
48T86.4Confident77.6Confident69 Ų69108.1 Ų108.142%0.42353%0.528SS..  trans-76.8-8.2177.454.50000111.1R46 R57 R58R46-T48 PolarHBondContact O-N 2.67Å; T48-R57 CarbonylContact O-C 3.54Å; T48-R57 WeakPolarHBondContact O-CA 3.42Å; T48-R58 WeakPolarHBondContact CB-O 3.3Å; T48-R58 PolarHBondContact O-N 3.16Å
49R88.7Confident78.6Confident135 Ų135105.2 Ų105.251%0.50952%0.517SS..BIsolated β-bridgetrans-85.1145.6-177.9-61.8-173.6-176.3-171.37110.4E47E47-R49 HydrophobicContact CG-CB 4.13Å; E47-R49 PolarHBondContact O-N 3.31Å
50H89Confident79.4Confident33 Ų33102.6 Ų102.615%0.15351%0.512CS..  trans-66138.1171.4-164.6-81.4000109.8V52 F53 V56 W65H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact ND1-N 3.24Å; H50-F53 HydrophobicContact CB-CB 4.38Å; H50-F53 AromaticContact CD2-CD2 3.86Å; H50-F53 AromaticContact CE1-CD2 3.29Å; H50-F53 WeakPolarHBondContact CE1-CD2 3.42Å; H50-F53 AromaticContact CE1-CE2 3.6Å; H50-F53 AromaticContact CG-CD2 3.81Å; H50-F53 AromaticContact ND1-CD2 3.45Å; H50-F53 WeakPolarHBondContact ND1-CD2 3.08Å; H50-F53 AromaticContact ND1-CG 3.88Å; H50-F53 PolarHBondContact ND1-N 3.29Å; H50-F53 AromaticContact NE2-CD2 3.57Å; H50-F53 AromaticContact NE2-CE2 3.78Å; H50-V56 HydrophobicContact CB-CB 3.94Å; H50-V56 HydrophobicContact CB-CG1 3.99Å; H50-V56 PolarHBondContact N-O 3.39Å; H50-W65 HydrophobicContact CB-CZ3 4.09Å; H50-W65 AromaticContact CD2-CH2 3.52Å; H50-W65 AromaticContact CD2-CZ3 3.71Å
51P85.6Confident80.2Confident96 Ų96105.8 Ų105.862%0.62353%0.529SS*.SBendtrans-68.5-33.2-178.924.5-33.6000112.9
52V88.4Confident81.2Confident53 Ų53105.6 Ų105.632%0.32152%0.52SS..SBendtrans-95.4-73-179.6-173.30000111.2V31 W32 H50V31-V52 HydrophobicContact CG1-CG1 3.95Å; V31-V52 VanDerWaalsContact CG1-O 3.26Å; V31-V52 WeakPolarHBondContact CG1-O 3.34Å; W32-V52 HydrophobicContact CE3-CG1 4.43Å; W32-V52 HydrophobicContact CH2-CG1 3.75Å; W32-V52 HydrophobicContact CZ2-CG1 3.86Å; W32-V52 HydrophobicContact CZ3-CG1 4.04Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact ND1-N 3.24Å
53F91.3Very high82.3Confident29 Ų2997.7 Ų97.713%0.12750%0.499CS..SBendtrans-61.6136.4-174.4-52-54.1000115.3W32 H50 V56 A87 A91 N110 F111W32-F53 HydrophobicContact CZ2-CE1 4.29Å; H50-F53 HydrophobicContact CB-CB 4.38Å; H50-F53 AromaticContact CD2-CD2 3.86Å; H50-F53 AromaticContact CE1-CD2 3.29Å; H50-F53 WeakPolarHBondContact CE1-CD2 3.42Å; H50-F53 AromaticContact CE1-CE2 3.6Å; H50-F53 AromaticContact CG-CD2 3.81Å; H50-F53 AromaticContact ND1-CD2 3.45Å; H50-F53 WeakPolarHBondContact ND1-CD2 3.08Å; H50-F53 AromaticContact ND1-CG 3.88Å; H50-F53 PolarHBondContact ND1-N 3.29Å; H50-F53 AromaticContact NE2-CD2 3.57Å; H50-F53 AromaticContact NE2-CE2 3.78Å; F53-V56 HydrophobicContact CB-CB 4.18Å; F53-V56 HydrophobicContact CB-CG2 3.8Å; F53-A87 HydrophobicContact CD2-CB 4.07Å; F53-A87 HydrophobicContact CE2-CB 4.11Å; F53-A91 HydrophobicContact CB-CB 3.79Å; F53-A91 HydrophobicContact CD1-CB 3.82Å; F53-A91 HydrophobicContact CD2-CB 4.2Å; F53-A91 HydrophobicContact CE1-CB 4.47Å; F53-A91 HydrophobicContact CG-CB 3.67Å; F53-N110 HydrophobicContact CD1-CB 4.25Å; F53-F111 HydrophobicContact CD1-CZ 4.07Å; F53-F111 AromaticContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE2 4.42Å; F53-F111 AromaticContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CZ-CE1 4.1Å; F53-F111 AromaticContact CZ-CZ 3.94Å; F53-F111 HydrophobicContact CZ-CZ 3.94Å
54R89.8Confident83.9Confident108 Ų10897 Ų9741%0.40848%0.484SS..SBendtrans-78.4148.4172.8-63175.2-176.3-87.7-6.2110.1V31 S34 V56 N110V31-R54 HydrophobicContact CG2-CG 3.71Å; S34-R54 PolarHBondContact OG-NH2 3.38Å; R54-V56 PolarHBondContact O-N 2.74Å; R54-V56 VanDerWaalsContact O-N 3.08Å; R54-N110 WeakPolarHBondContact CB-OD1 3.43Å; R54-N110 PolarHBondContact N-OD1 3.38Å; R54-N110 PolarHBondContact O-ND2 3.13Å
55G90.5Very high85.6Confident27 Ų2789.3 Ų89.328%0.27845%0.45SS..SBendtrans75.2-1217800000116E68 H94G55-E68 PolarHBondContact O-N 3.35Å; G55-H94 VanDerWaalsContact CA-CD2 3.49Å; G55-H94 WeakPolarHBondContact CA-CD2 3.15Å
56V93.8Very high87.1Confident5 Ų582 Ų823%0.0342%0.418CS..EExtended strand (participates in β ladder)trans-92.4126.5-175-177.80000111.4H50 F53 R54 W65 A90 A91H50-V56 HydrophobicContact CB-CB 3.94Å; H50-V56 HydrophobicContact CB-CG1 3.99Å; H50-V56 PolarHBondContact N-O 3.39Å; F53-V56 HydrophobicContact CB-CB 4.18Å; F53-V56 HydrophobicContact CB-CG2 3.8Å; R54-V56 PolarHBondContact O-N 2.74Å; R54-V56 VanDerWaalsContact O-N 3.08Å; V56-W65 HydrophobicContact CG1-CB 4.23Å; V56-W65 HydrophobicContact CG1-CD2 3.98Å; V56-W65 HydrophobicContact CG1-CE3 3.32Å; V56-W65 HydrophobicContact CG1-CG 4.38Å; V56-W65 HydrophobicContact CG1-CZ3 3.94Å; V56-A90 HydrophobicContact CG1-CB 4.05Å; V56-A90 HydrophobicContact CG2-CB 3.8Å; V56-A91 HydrophobicContact CG2-CB 3.96Å
57R92.9Very high88.3Confident78 Ų7871.1 Ų71.129%0.29438%0.377SS..EExtended strand (participates in β ladder)trans-131.2145.3172.771.6-176-167.8-178.97.8111.1T48 W65 V66 E68T48-R57 CarbonylContact O-C 3.54Å; T48-R57 WeakPolarHBondContact O-CA 3.42Å; R57-W65 CarbonylContact O-C 3.36Å; R57-W65 WeakPolarHBondContact O-CA 3.19Å; R57-V66 HydrophobicContact CG-CB 3.77Å; R57-V66 HydrophobicContact CG-CG1 4.43Å; R57-V66 PolarHBondContact N-O 3.21Å; R57-V66 PolarHBondContact O-N 3.16Å; R57-E68 IonicContact CZ-OE2 3.13Å; R57-E68 IonicContact NE-OE2 2.66Å; R57-E68 IonicContact NH1-OE2 3.36Å; R57-E68 PolarHBondContact NH1-OE2 3.18Å
58R91Very high89.2Confident140 Ų14067.9 Ų67.953%0.52836%0.361SS..EExtended strand (participates in β ladder)trans-87.7126.6172.9-138.1170.274.5178.95.8109.5T48 R64 W65T48-R58 WeakPolarHBondContact CB-O 3.3Å; T48-R58 PolarHBondContact O-N 3.16Å; R58-R64 WeakPolarHBondContact CA-O 3.29Å; R58-W65 HydrophobicContact CB-CE3 4Å; R58-W65 HydrophobicContact CB-CH2 4.4Å; R58-W65 HydrophobicContact CB-CZ3 3.86Å; R58-W65 HydrophobicContact CG-CD2 4.19Å; R58-W65 HydrophobicContact CG-CE3 3.97Å; R58-W65 HydrophobicContact CG-CH2 4.15Å; R58-W65 HydrophobicContact CG-CZ2 4.3Å; R58-W65 HydrophobicContact CG-CZ3 3.98Å
59R88.2Confident89.5Confident163 Ų16364.7 Ų64.762%0.61534%0.342SS*.EExtended strand (participates in β ladder)trans-113.7129.6177.3-170.7176.3-172.2-147.50.9110.2R64 V66R59-R64 PolarHBondContact N-O 2.98Å; R59-V66 HydrophobicContact CB-CG2 3.5Å; R59-V66 VanDerWaalsContact CB-CG2 3.5Å; R59-V66 HydrophobicContact CG-CG2 4.46Å
60G82.2Confident89.6Confident61 Ų6164.8 Ų64.863%0.62934%0.342SS*.THydrogen-bonded Turntrans74.9179.9174.500000114.8A62G60-A62 VanDerWaalsContact C-N 3.34Å
61S78.1Confident89.7Confident135 Ų13563.8 Ų63.894%0.94434%0.339SS*.THydrogen-bonded Turntrans-75.9-22.7172.349.30000112.6G63S61-G63 PolarHBondContact O-N 3.13Å
62A81.8Confident89.7Confident81 Ų8162.6 Ų62.667%0.66933%0.331SS*.THydrogen-bonded Turntrans-66-4.3-179.300000114.6G60 R64G60-A62 VanDerWaalsContact C-N 3.34Å; A62-R64 HydrophobicContact CB-CG 4.23Å; A62-R64 PolarHBondContact O-N 3.08Å
63G86.3Confident89.5Confident30 Ų3064.3 Ų64.331%0.30936%0.359SS..THydrogen-bonded Turntrans74.75.317500000115.5S61S61-G63 PolarHBondContact O-N 3.13Å
64R92.8Very high89.3Confident96 Ų9669.4 Ų69.436%0.36238%0.377SS..EExtended strand (participates in β ladder)trans-66.2140.8-179.8-57.5-66-71.3-161.60111.8R58 R59 A62 D85R58-R64 WeakPolarHBondContact CA-O 3.29Å; R59-R64 PolarHBondContact N-O 2.98Å; A62-R64 HydrophobicContact CB-CG 4.23Å; A62-R64 PolarHBondContact O-N 3.08Å; R64-D85 VanDerWaalsContact CZ-CG 3.46Å; R64-D85 IonicContact CZ-OD1 3.36Å; R64-D85 IonicContact CZ-OD2 2.61Å; R64-D85 IonicContact NE-OD1 3.58Å; R64-D85 IonicContact NH1-OD1 2.68Å; R64-D85 PolarHBondContact NH1-OD1 3.05Å; R64-D85 IonicContact NH1-OD2 2.88Å; R64-D85 PolarHBondContact NH1-OD2 2.8Å; R64-D85 IonicContact NH2-OD1 3.89Å; R64-D85 PolarHBondContact NH2-OD1 3.05Å; R64-D85 IonicContact NH2-OD2 2.81Å
65W94.3Very high89.1Confident45 Ų4576.3 Ų76.317%0.1740%0.403CS..EExtended strand (participates in β ladder)trans-92.9144.3173.8-60.797.1000109.9H50 V56 R57 R58 T83 F84 T86 A87 A90H50-W65 HydrophobicContact CB-CZ3 4.09Å; H50-W65 AromaticContact CD2-CH2 3.52Å; H50-W65 AromaticContact CD2-CZ3 3.71Å; V56-W65 HydrophobicContact CG1-CB 4.23Å; V56-W65 HydrophobicContact CG1-CD2 3.98Å; V56-W65 HydrophobicContact CG1-CE3 3.32Å; V56-W65 HydrophobicContact CG1-CG 4.38Å; V56-W65 HydrophobicContact CG1-CZ3 3.94Å; R57-W65 CarbonylContact O-C 3.36Å; R57-W65 WeakPolarHBondContact O-CA 3.19Å; R58-W65 HydrophobicContact CB-CE3 4Å; R58-W65 HydrophobicContact CB-CH2 4.4Å; R58-W65 HydrophobicContact CB-CZ3 3.86Å; R58-W65 HydrophobicContact CG-CD2 4.19Å; R58-W65 HydrophobicContact CG-CE3 3.97Å; R58-W65 HydrophobicContact CG-CH2 4.15Å; R58-W65 HydrophobicContact CG-CZ2 4.3Å; R58-W65 HydrophobicContact CG-CZ3 3.98Å; W65-T83 CarbonylContact O-C 3.58Å; W65-T83 VanDerWaalsContact O-CA 3.23Å; W65-T83 WeakPolarHBondContact O-CA 3.45Å; W65-F84 PolarHBondContact N-O 3.08Å; W65-F84 PolarHBondContact O-N 3.15Å; W65-T86 VanDerWaalsContact CD1-C 3.45Å; W65-A87 HydrophobicContact CD2-CB 3.93Å; W65-A87 HydrophobicContact CE3-CB 4.47Å; W65-A87 HydrophobicContact CG-CB 4.25Å; W65-A87 HydrophobicContact CZ2-CB 4.01Å; W65-A90 HydrophobicContact CB-CB 3.99Å
66V94.1Very high89.1Confident1 Ų178.8 Ų78.81%0.00643%0.429CS..EExtended strand (participates in β ladder)trans-127134.5179.7-1760000107.2R57 R59 W80 T83R57-V66 HydrophobicContact CG-CB 3.77Å; R57-V66 HydrophobicContact CG-CG1 4.43Å; R57-V66 PolarHBondContact N-O 3.21Å; R57-V66 PolarHBondContact O-N 3.16Å; R59-V66 HydrophobicContact CB-CG2 3.5Å; R59-V66 VanDerWaalsContact CB-CG2 3.5Å; R59-V66 HydrophobicContact CG-CG2 4.46Å; V66-W80 VanDerWaalsContact CG1-NE1 3.28Å; V66-T83 HydrophobicContact CG1-CG2 4.4Å; V66-T83 HydrophobicContact CG2-CG2 3.81Å
67C94.9Very high88.9Confident0 Ų080.3 Ų80.30%044%0.439CS..EExtended strand (participates in β ladder)trans-108.6127176.6-166.10000110.9L81 G82 F84 A90 A93C67-L81 HydrophobicContact CB-CB 4.31Å; C67-L81 HydrophobicContact CB-CD1 4.37Å; C67-L81 PolarHBondContact O-N 3.09Å; C67-L81 VanDerWaalsContact O-N 3.1Å; C67-G82 PolarHBondContact N-O 3.1Å; C67-G82 VanDerWaalsContact N-O 3.11Å; C67-F84 HydrophobicContact CB-CD2 4.2Å; C67-F84 HydrophobicContact CB-CE2 3.8Å; C67-A90 HydrophobicContact CB-CB 4.28Å; C67-A90 PolarHBondContact SG-O 3.46Å; C67-A93 HydrophobicContact CB-CB 4.42Å
68E93.3Very high88.9Confident40 Ų4083.1 Ų83.119%0.18745%0.45CS..EExtended strand (participates in β ladder)trans-131.8141.2171.367.8176.7-13800110.8G55 R57 R78 L79G55-E68 PolarHBondContact O-N 3.35Å; R57-E68 IonicContact CZ-OE2 3.13Å; R57-E68 IonicContact NE-OE2 2.66Å; R57-E68 IonicContact NH1-OE2 3.36Å; R57-E68 PolarHBondContact NH1-OE2 3.18Å; E68-R78 IonicContact OE1-NH1 3.24Å; E68-R78 PolarHBondContact OE1-NH1 3.31Å; E68-R78 VanDerWaalsContact OE1-NH1 3.13Å; E68-L79 CarbonylContact C-O 3.52Å; E68-L79 WeakPolarHBondContact CA-O 3.23Å
69V92.5Very high89Confident3 Ų376.5 Ų76.52%0.01843%0.425CS..EExtended strand (participates in β ladder)trans-119.1141.6179173.70000110.3R78 L79 L81 H94 A97 M98 L101V69-R78 WeakPolarHBondContact O-CA 3.28Å; V69-L79 PolarHBondContact N-O 3.24Å; V69-L79 PolarHBondContact O-N 3.48Å; V69-L81 HydrophobicContact CB-CD1 4.49Å; V69-L81 HydrophobicContact CG2-CD1 3.59Å; V69-L81 HydrophobicContact CG2-CG 4.41Å; V69-H94 VanDerWaalsContact CG2-CD2 3.43Å; V69-H94 WeakPolarHBondContact CG2-CD2 3.38Å; V69-A97 HydrophobicContact CG2-CB 3.91Å; V69-M98 HydrophobicContact CG1-SD 3.96Å; V69-L101 HydrophobicContact CG1-CD1 3.83Å
70R91.5Very high89.2Confident137 Ų13774.9 Ų74.952%0.51742%0.419SS..EExtended strand (participates in β ladder)trans-89123.2167.7-74.4-177.4173.672.36.5108.2P72R70-P72 WeakPolarHBondContact O-CD 3.26Å
71V89.8Confident89.8Confident12 Ų1273.1 Ų73.17%0.07340%0.395CS..PPolyproline II helixtrans-72120.6-178.7-178.70000108.9R74 C77 L79 L101 L127V71-R74 HydrophobicContact CB-CB 4.39Å; V71-R74 HydrophobicContact CG1-CB 4.22Å; V71-R74 HydrophobicContact CG1-CG 4.42Å; V71-R74 PolarHBondContact O-N 3.43Å; V71-C77 HydrophobicContact CB-CB 4.29Å; V71-C77 HydrophobicContact CG2-CB 4.39Å; V71-C77 PolarHBondContact N-O 2.84Å; V71-L79 HydrophobicContact CG2-CB 4.31Å; V71-L101 HydrophobicContact CG1-CD2 4.29Å; V71-L101 HydrophobicContact CG2-CD1 4.32Å; V71-L127 HydrophobicContact CG2-CD2 3.89Å
72P85.5Confident90.5Very high70 Ų7067.4 Ų67.446%0.45536%0.358SS..THydrogen-bonded Turntrans-62.6143.2174.826.8-32.6000109.9R70 R74 L101R70-P72 WeakPolarHBondContact O-CD 3.26Å; P72-R74 VanDerWaalsContact C-N 3.25Å; P72-R74 PolarHBondContact O-N 2.88Å; P72-R74 VanDerWaalsContact O-N 3.16Å; P72-L101 HydrophobicContact CG-CB 4.4Å
73G85.2Confident91.1Very high89 Ų8966.7 Ų66.792%0.91835%0.345SS*.THydrogen-bonded Turntrans80.9-24.2-179.600000116.2
74R86.1Confident91.5Very high136 Ų13666.7 Ų66.751%0.51334%0.337SS..SBendtrans-103.4104.8177.1-70.8-161.6-93-109.41.5112.2V71 P72 G76 C77V71-R74 HydrophobicContact CB-CB 4.39Å; V71-R74 HydrophobicContact CG1-CB 4.22Å; V71-R74 HydrophobicContact CG1-CG 4.42Å; V71-R74 PolarHBondContact O-N 3.43Å; P72-R74 VanDerWaalsContact C-N 3.25Å; P72-R74 PolarHBondContact O-N 2.88Å; P72-R74 VanDerWaalsContact O-N 3.16Å; R74-G76 PolarHBondContact O-N 3.13Å; R74-C77 HydrophobicContact CB-CB 3.72Å; R74-C77 PolarHBondContact O-N 2.86Å
75R87.5Confident91.5Very high253 Ų25367.2 Ų67.296%0.95535%0.347SS*.THydrogen-bonded Turntrans-61.6125177.9-67.6-166.2-71.1-112.72.5110.9C77R75-C77 VanDerWaalsContact C-N 3.29Å; R75-C77 PolarHBondContact O-N 2.8Å
76G88.5Confident91.5Very high79 Ų7968.2 Ų68.281%0.81436%0.358SS*.THydrogen-bonded Turntrans81.9-6.9175.900000115.7R74R74-G76 PolarHBondContact O-N 3.13Å
77C91.5Very high91.5Very high37 Ų3768.9 Ų68.925%0.2536%0.364CS..  trans-80.7126.2179.1-171.90000111V71 R74 R75V71-C77 HydrophobicContact CB-CB 4.29Å; V71-C77 HydrophobicContact CG2-CB 4.39Å; V71-C77 PolarHBondContact N-O 2.84Å; R74-C77 HydrophobicContact CB-CB 3.72Å; R74-C77 PolarHBondContact O-N 2.86Å; R75-C77 VanDerWaalsContact C-N 3.29Å; R75-C77 PolarHBondContact O-N 2.8Å
78R92Very high91.4Very high138 Ų13872.2 Ų72.252%0.52138%0.379SS..EExtended strand (participates in β ladder)trans-122.7133.1174.4-61.1-173.4-173.3-154.812.6109.6E68 V69E68-R78 IonicContact OE1-NH1 3.24Å; E68-R78 PolarHBondContact OE1-NH1 3.31Å; E68-R78 VanDerWaalsContact OE1-NH1 3.13Å; V69-R78 WeakPolarHBondContact O-CA 3.28Å
79L93Very high91.5Very high1 Ų170.4 Ų70.41%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-101.6111.9175.3-170.763.6000108.7E68 V69 V71 L81 L127 V130 R131E68-L79 CarbonylContact C-O 3.52Å; E68-L79 WeakPolarHBondContact CA-O 3.23Å; V69-L79 PolarHBondContact N-O 3.24Å; V69-L79 PolarHBondContact O-N 3.48Å; V71-L79 HydrophobicContact CG2-CB 4.31Å; L79-L81 HydrophobicContact CD2-CD2 3.6Å; L79-L81 HydrophobicContact CG-CD2 3.89Å; L79-L127 HydrophobicContact CD1-CB 4.04Å; L79-L127 HydrophobicContact CD1-CD2 4.47Å; L79-L127 HydrophobicContact CD2-CD2 4.41Å; L79-V130 HydrophobicContact CD2-CB 4.18Å; L79-V130 HydrophobicContact CD2-CG1 3.65Å; L79-R131 HydrophobicContact CD1-CG 3.85Å; L79-R131 VanDerWaalsContact CD1-NE 3.29Å; L79-R131 HydrophobicContact CD2-CG 4.37Å; L79-R131 HydrophobicContact CG-CG 4.24Å
80W92.9Very high91.6Very high128 Ų12870.2 Ų70.249%0.48537%0.37SS..EExtended strand (participates in β ladder)trans-77.8122.1163.9-177.541.5000108.5V66 G82 T83 R131V66-W80 VanDerWaalsContact CG1-NE1 3.28Å; W80-G82 PolarHBondContact NE1-O 3.02Å; W80-T83 HydrophobicContact CZ2-CG2 3.94Å; W80-R131 PolarHBondContact O-NE 3.46Å; W80-R131 PolarHBondContact O-NH2 3.06Å
81L94Very high91.8Very high24 Ų2463.7 Ų63.713%0.12635%0.345CS..EExtended strand (participates in β ladder)trans-94-42.6-175.8-66.1173000111.7C67 V69 L79 A93 A97 V134C67-L81 HydrophobicContact CB-CB 4.31Å; C67-L81 HydrophobicContact CB-CD1 4.37Å; C67-L81 PolarHBondContact O-N 3.09Å; C67-L81 VanDerWaalsContact O-N 3.1Å; V69-L81 HydrophobicContact CB-CD1 4.49Å; V69-L81 HydrophobicContact CG2-CD1 3.59Å; V69-L81 HydrophobicContact CG2-CG 4.41Å; L79-L81 HydrophobicContact CD2-CD2 3.6Å; L79-L81 HydrophobicContact CG-CD2 3.89Å; L81-A93 HydrophobicContact CD1-CB 4.47Å; L81-A93 WeakPolarHBondContact CD1-O 3.33Å; L81-A97 HydrophobicContact CD1-CB 3.57Å; L81-A97 HydrophobicContact CD2-CB 3.86Å; L81-A97 HydrophobicContact CG-CB 4.35Å; L81-V134 HydrophobicContact CD1-CG1 4.41Å; L81-V134 HydrophobicContact CD2-CB 4.43Å; L81-V134 HydrophobicContact CD2-CG1 4.24Å; L81-V134 HydrophobicContact CD2-CG2 4.26Å
82G93.4Very high92Very high15 Ų1563.4 Ų63.416%0.15534%0.343CS..EExtended strand (participates in β ladder)trans165.7-172.4-179.600000113.6C67 W80C67-G82 PolarHBondContact N-O 3.1Å; C67-G82 VanDerWaalsContact N-O 3.11Å; W80-G82 PolarHBondContact NE1-O 3.02Å
83T94.4Very high92.4Very high67 Ų6760.1 Ų60.141%0.41132%0.321SS..EExtended strand (participates in β ladder)trans-120.8136.917159.30000110W65 V66 W80W65-T83 CarbonylContact O-C 3.58Å; W65-T83 VanDerWaalsContact O-CA 3.23Å; W65-T83 WeakPolarHBondContact O-CA 3.45Å; V66-T83 HydrophobicContact CG1-CG2 4.4Å; V66-T83 HydrophobicContact CG2-CG2 3.81Å; W80-T83 HydrophobicContact CZ2-CG2 3.94Å
84F94.3Very high92.9Very high29 Ų2956.8 Ų56.813%0.12728%0.282CS..EExtended strand (participates in β ladder)trans-130.6156.3-173.7-55.4-84.3000110.9W65 C67 A89 A90 A93 V138W65-F84 PolarHBondContact N-O 3.08Å; W65-F84 PolarHBondContact O-N 3.15Å; C67-F84 HydrophobicContact CB-CD2 4.2Å; C67-F84 HydrophobicContact CB-CE2 3.8Å; F84-A89 HydrophobicContact CB-CB 4.15Å; F84-A89 HydrophobicContact CD1-CB 4.08Å; F84-A89 HydrophobicContact CG-CB 4.31Å; F84-A90 HydrophobicContact CB-CB 4.08Å; F84-A90 VanDerWaalsContact CD2-CA 3.47Å; F84-A90 HydrophobicContact CD2-CB 3.66Å; F84-A90 HydrophobicContact CG-CB 4.15Å; F84-A93 HydrophobicContact CE1-CB 4.26Å; F84-A93 HydrophobicContact CE2-CB 3.59Å; F84-A93 HydrophobicContact CZ-CB 3.42Å; F84-A93 VanDerWaalsContact CZ-CB 3.42Å; F84-V138 HydrophobicContact CD1-CG1 4.2Å; F84-V138 HydrophobicContact CE1-CB 4.46Å; F84-V138 HydrophobicContact CE1-CG1 3.74Å
85D92.9Very high93.2Very high108 Ų10850.3 Ų50.358%0.57826%0.258SS*.SBendtrans-80.3-40.1-177.3-63.539.5000110.2R64R64-D85 VanDerWaalsContact CZ-CG 3.46Å; R64-D85 IonicContact CZ-OD1 3.36Å; R64-D85 IonicContact CZ-OD2 2.61Å; R64-D85 IonicContact NE-OD1 3.58Å; R64-D85 IonicContact NH1-OD1 2.68Å; R64-D85 PolarHBondContact NH1-OD1 3.05Å; R64-D85 IonicContact NH1-OD2 2.88Å; R64-D85 PolarHBondContact NH1-OD2 2.8Å; R64-D85 IonicContact NH2-OD1 3.89Å; R64-D85 PolarHBondContact NH2-OD1 3.05Å; R64-D85 IonicContact NH2-OD2 2.81Å
86T93.8Very high93.5Very high66 Ų6638.3 Ų38.341%0.40521%0.212SC..SBendtrans-103.4148.4179.366.90000111.1W65 E88 A89 A90W65-T86 VanDerWaalsContact CD1-C 3.45Å; T86-E88 PolarHBondContact O-N 2.77Å; T86-A89 WeakPolarHBondContact OG1-CB 3.45Å; T86-A89 PolarHBondContact OG1-N 3.03Å; T86-A90 PolarHBondContact O-N 2.94Å
87A93.6Very high93.7Very high15 Ų1534.5 Ų34.512%0.12417%0.173CC..Hα-helixtrans-66.3-31.4172.900000111.1F53 W65 A91F53-A87 HydrophobicContact CD2-CB 4.07Å; F53-A87 HydrophobicContact CE2-CB 4.11Å; W65-A87 HydrophobicContact CD2-CB 3.93Å; W65-A87 HydrophobicContact CE3-CB 4.47Å; W65-A87 HydrophobicContact CG-CB 4.25Å; W65-A87 HydrophobicContact CZ2-CB 4.01Å; A87-A91 WeakPolarHBondContact O-CB 3.33Å; A87-A91 PolarHBondContact O-N 3.08Å
88E93.9Very high93.7Very high69 Ų6934.4 Ų34.432%0.32217%0.17SC..Hα-helixtrans-65.6-50.5178.1-175.7174.1-179.100111.8T86 A90 A91 R92 F111T86-E88 PolarHBondContact O-N 2.77Å; E88-A90 VanDerWaalsContact C-N 3.27Å; E88-A90 PolarHBondContact O-N 3Å; E88-A91 CarbonylContact O-C 3.46Å; E88-A91 WeakPolarHBondContact O-CA 3.37Å; E88-A91 WeakPolarHBondContact O-CB 3.49Å; E88-A91 PolarHBondContact O-N 3.09Å; E88-R92 HydrophobicContact CG-CG 4.47Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.96Å; E88-R92 IonicContact OE1-NH2 3.94Å; E88-F111 HydrophobicContact CB-CZ 4.46Å; E88-F111 HydrophobicContact CG-CE1 4.27Å; E88-F111 HydrophobicContact CG-CE2 4.45Å; E88-F111 HydrophobicContact CG-CZ 3.76Å
89A94.5Very high93.6Very high2 Ų228.9 Ų28.92%0.01715%0.15CC..Hα-helixtrans-59.5-40.117700000111.5F84 T86 A91 R92 A93 V138 L142F84-A89 HydrophobicContact CB-CB 4.15Å; F84-A89 HydrophobicContact CD1-CB 4.08Å; F84-A89 HydrophobicContact CG-CB 4.31Å; T86-A89 WeakPolarHBondContact OG1-CB 3.45Å; T86-A89 PolarHBondContact OG1-N 3.03Å; A89-A91 VanDerWaalsContact C-N 3.32Å; A89-A91 PolarHBondContact O-N 3.06Å; A89-R92 PolarHBondContact O-N 3.34Å; A89-A93 WeakPolarHBondContact O-CB 3.45Å; A89-A93 PolarHBondContact O-N 2.93Å; A89-V138 HydrophobicContact CB-CG1 4.35Å; A89-L142 HydrophobicContact CB-CD2 4.27Å
90A95.6Very high93.5Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-62.3-39173.700000112.8V56 W65 C67 F84 T86 E88 H94V56-A90 HydrophobicContact CG1-CB 4.05Å; V56-A90 HydrophobicContact CG2-CB 3.8Å; W65-A90 HydrophobicContact CB-CB 3.99Å; C67-A90 HydrophobicContact CB-CB 4.28Å; C67-A90 PolarHBondContact SG-O 3.46Å; F84-A90 HydrophobicContact CB-CB 4.08Å; F84-A90 VanDerWaalsContact CD2-CA 3.47Å; F84-A90 HydrophobicContact CD2-CB 3.66Å; F84-A90 HydrophobicContact CG-CB 4.15Å; T86-A90 PolarHBondContact O-N 2.94Å; E88-A90 VanDerWaalsContact C-N 3.27Å; E88-A90 PolarHBondContact O-N 3Å; A90-H94 PolarHBondContact O-N 3.14Å; A90-H94 VanDerWaalsContact O-N 3.15Å
91A94.6Very high93.4Very high0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-71.4-36.4177.800000112.1F53 V56 A87 E88 A89 H94 D95 N110 F111F53-A91 HydrophobicContact CB-CB 3.79Å; F53-A91 HydrophobicContact CD1-CB 3.82Å; F53-A91 HydrophobicContact CD2-CB 4.2Å; F53-A91 HydrophobicContact CE1-CB 4.47Å; F53-A91 HydrophobicContact CG-CB 3.67Å; V56-A91 HydrophobicContact CG2-CB 3.96Å; A87-A91 WeakPolarHBondContact O-CB 3.33Å; A87-A91 PolarHBondContact O-N 3.08Å; E88-A91 CarbonylContact O-C 3.46Å; E88-A91 WeakPolarHBondContact O-CA 3.37Å; E88-A91 WeakPolarHBondContact O-CB 3.49Å; E88-A91 PolarHBondContact O-N 3.09Å; A89-A91 VanDerWaalsContact C-N 3.32Å; A89-A91 PolarHBondContact O-N 3.06Å; A91-H94 WeakPolarHBondContact O-CB 3.48Å; A91-H94 PolarHBondContact O-N 3.47Å; A91-D95 PolarHBondContact O-N 2.9Å; A91-N110 HydrophobicContact CB-CB 4.19Å; A91-N110 PolarHBondContact O-ND2 3.29Å; A91-N110 VanDerWaalsContact O-ND2 3.14Å; A91-F111 HydrophobicContact CB-CE2 3.44Å; A91-F111 VanDerWaalsContact CB-CE2 3.44Å; A91-F111 HydrophobicContact CB-CZ 3.82Å
92R94.3Very high93Very high6 Ų625.7 Ų25.72%0.02315%0.149CC..Hα-helixtrans-64.9-41.4171.9-66.7-67.6-179.2176.94.3111.6E88 A89 H94 D95 A96 F111 D113 S114 L118 F141E88-R92 HydrophobicContact CG-CG 4.47Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.96Å; E88-R92 IonicContact OE1-NH2 3.94Å; A89-R92 PolarHBondContact O-N 3.34Å; R92-H94 VanDerWaalsContact C-N 3.26Å; R92-H94 PolarHBondContact O-N 3.16Å; R92-D95 PolarHBondContact O-N 3.4Å; R92-D95 VanDerWaalsContact O-N 3.09Å; R92-A96 PolarHBondContact O-N 3.32Å; R92-F111 HydrophobicContact CG-CD2 4.26Å; R92-F111 HydrophobicContact CG-CE2 3.94Å; R92-F111 VanDerWaalsContact CZ-CG 3.43Å; R92-D113 IonicContact CZ-OD1 3.49Å; R92-D113 VanDerWaalsContact CZ-OD1 3.29Å; R92-D113 IonicContact CZ-OD2 4Å; R92-D113 IonicContact NH1-OD1 3.42Å; R92-D113 PolarHBondContact NH1-OD1 3.46Å; R92-D113 IonicContact NH1-OD2 2.72Å; R92-D113 PolarHBondContact NH1-OD2 3.36Å; R92-D113 IonicContact NH2-OD1 2.73Å; R92-D113 PolarHBondContact NH2-OD1 3.17Å; R92-D113 IonicContact NH2-OD2 3.03Å; R92-D113 PolarHBondContact NH2-OD2 3.43Å; R92-S114 PolarHBondContact NH1-OG 2.83Å; R92-L118 HydrophobicContact CB-CD1 4.43Å; R92-F141 HydrophobicContact CG-CD1 4.36Å; R92-F141 HydrophobicContact CG-CE1 3.96Å; R92-F141 HydrophobicContact CG-CZ 4.01Å
93A94.9Very high92.4Very high0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-58.6-39.4173.400000112.1C67 L81 F84 A89 A97 V134 V138C67-A93 HydrophobicContact CB-CB 4.42Å; L81-A93 HydrophobicContact CD1-CB 4.47Å; L81-A93 WeakPolarHBondContact CD1-O 3.33Å; F84-A93 HydrophobicContact CE1-CB 4.26Å; F84-A93 HydrophobicContact CE2-CB 3.59Å; F84-A93 HydrophobicContact CZ-CB 3.42Å; F84-A93 VanDerWaalsContact CZ-CB 3.42Å; A89-A93 WeakPolarHBondContact O-CB 3.45Å; A89-A93 PolarHBondContact O-N 2.93Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 3.47Å; A93-V134 HydrophobicContact CB-CG1 3.81Å; A93-V134 WeakPolarHBondContact O-CG1 3.36Å; A93-V138 HydrophobicContact CB-CG2 3.78Å
94H94.5Very high91.3Very high20 Ų2026.8 Ų26.89%0.09317%0.165CC..Hα-helixtrans-63-44.7174.3-178.7-83000111.4G55 V69 A90 A91 R92 A97 M98G55-H94 VanDerWaalsContact CA-CD2 3.49Å; G55-H94 WeakPolarHBondContact CA-CD2 3.15Å; V69-H94 VanDerWaalsContact CG2-CD2 3.43Å; V69-H94 WeakPolarHBondContact CG2-CD2 3.38Å; A90-H94 PolarHBondContact O-N 3.14Å; A90-H94 VanDerWaalsContact O-N 3.15Å; A91-H94 WeakPolarHBondContact O-CB 3.48Å; A91-H94 PolarHBondContact O-N 3.47Å; R92-H94 VanDerWaalsContact C-N 3.26Å; R92-H94 PolarHBondContact O-N 3.16Å; H94-A97 PolarHBondContact O-N 3.37Å; H94-M98 WeakPolarHBondContact O-CG 3.45Å; H94-M98 PolarHBondContact O-N 3.06Å
95D93.5Very high90Very high0 Ų029.2 Ų29.20%019%0.191CC..Hα-helixtrans-64.6-45.6180-69.9-0.2000111.5A91 R92 A97 M98 L99 L109 N110 F111 S114 L118A91-D95 PolarHBondContact O-N 2.9Å; R92-D95 PolarHBondContact O-N 3.4Å; R92-D95 VanDerWaalsContact O-N 3.09Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 3.42Å; D95-M98 PolarHBondContact O-N 2.69Å; D95-M98 VanDerWaalsContact O-N 3.16Å; D95-L99 WeakPolarHBondContact O-CG 3.34Å; D95-L99 PolarHBondContact O-N 2.66Å; D95-L109 HydrophobicContact CB-CD2 4.04Å; D95-N110 WeakPolarHBondContact OD1-CB 3.48Å; D95-N110 PolarHBondContact OD1-N 3.33Å; D95-N110 PolarHBondContact OD1-ND2 3.47Å; D95-N110 WeakPolarHBondContact OD2-CB 3.41Å; D95-N110 PolarHBondContact OD2-N 3.44Å; D95-F111 WeakPolarHBondContact OD2-CD2 3.35Å; D95-F111 PolarHBondContact OD2-N 3.33Å; D95-S114 WeakPolarHBondContact CB-OG 3.49Å; D95-S114 WeakPolarHBondContact OD2-CB 3.48Å; D95-S114 PolarHBondContact OD2-OG 2.99Å; D95-L118 HydrophobicContact CB-CD1 4.3Å
96A93.5Very high89.1Confident0 Ų024.1 Ų24.10%016%0.164CC..Hα-helixtrans-56.7-44.3174.100000111.8R92 M98 L99 A100 L118 V120 V134R92-A96 PolarHBondContact O-N 3.32Å; A96-M98 PolarHBondContact O-N 3.19Å; A96-L99 PolarHBondContact O-N 3.22Å; A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.12Å; A96-L118 HydrophobicContact CB-CD1 3.98Å; A96-V120 HydrophobicContact CB-CG2 3.74Å; A96-V134 HydrophobicContact CB-CB 4.42Å; A96-V134 HydrophobicContact CB-CG1 4.35Å; A96-V134 HydrophobicContact CB-CG2 3.87Å
97A93.4Very high87.7Confident0 Ų025.2 Ų25.20%017%0.173CC..Hα-helixtrans-66.9-36.8178.800000112.4V69 L81 A93 H94 D95 A100 L101 V130 V134V69-A97 HydrophobicContact CG2-CB 3.91Å; L81-A97 HydrophobicContact CD1-CB 3.57Å; L81-A97 HydrophobicContact CD2-CB 3.86Å; L81-A97 HydrophobicContact CG-CB 4.35Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 3.47Å; H94-A97 PolarHBondContact O-N 3.37Å; D95-A97 VanDerWaalsContact C-N 3.3Å; D95-A97 PolarHBondContact O-N 3.42Å; A97-A100 PolarHBondContact O-N 3.43Å; A97-L101 VanDerWaalsContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CB 3.03Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.86Å; A97-V130 HydrophobicContact CB-CG1 4.37Å; A97-V134 HydrophobicContact CB-CG2 3.77Å
98M90.8Very high87.1Confident35 Ų3526.4 Ų26.417%0.17218%0.18CC..Hα-helixtrans-67.1-39.5175.7-72.7-59.9-58.400111.5V69 H94 D95 A96 L101 A102 A106 L109V69-M98 HydrophobicContact CG1-SD 3.96Å; H94-M98 WeakPolarHBondContact O-CG 3.45Å; H94-M98 PolarHBondContact O-N 3.06Å; D95-M98 PolarHBondContact O-N 2.69Å; D95-M98 VanDerWaalsContact O-N 3.16Å; A96-M98 PolarHBondContact O-N 3.19Å; M98-L101 PolarHBondContact O-N 2.87Å; M98-A102 WeakPolarHBondContact O-CB 3.45Å; M98-A102 PolarHBondContact O-N 2.94Å; M98-A106 HydrophobicContact CB-CB 4.32Å; M98-L109 HydrophobicContact CB-CD2 4.19Å
99L90.7Very high86.9Confident22 Ų2223.1 Ų23.112%0.11517%0.165CC..Hα-helixtrans-62.3-43.9172.9-69.7167.5000111.1D95 A96 L101 G103 A106 L109 V120D95-L99 WeakPolarHBondContact O-CG 3.34Å; D95-L99 PolarHBondContact O-N 2.66Å; A96-L99 PolarHBondContact O-N 3.22Å; L99-L101 PolarHBondContact O-N 3.21Å; L99-G103 WeakPolarHBondContact O-CA 3.27Å; L99-G103 PolarHBondContact O-N 3.38Å; L99-A106 HydrophobicContact CD2-CB 4.1Å; L99-L109 HydrophobicContact CD2-CD1 4.24Å; L99-L109 HydrophobicContact CD2-CD2 4.42Å; L99-L109 HydrophobicContact CG-CD2 4.21Å; L99-V120 HydrophobicContact CB-CB 4.42Å; L99-V120 HydrophobicContact CB-CG1 4.36Å; L99-V120 HydrophobicContact CB-CG2 4.5Å
100A91.2Very high86.7Confident9 Ų923 Ų237%0.07416%0.164CC..Hα-helixtrans-66.3-36.4177.700000113.4A96 A97 V120 V130A96-A100 WeakPolarHBondContact O-CB 3.33Å; A96-A100 PolarHBondContact O-N 3.12Å; A97-A100 PolarHBondContact O-N 3.43Å; A100-V120 HydrophobicContact CB-CG1 3.59Å; A100-V130 HydrophobicContact CB-CB 4.5Å; A100-V130 HydrophobicContact CB-CG1 3.96Å; A100-V130 HydrophobicContact CB-CG2 4.14Å
101L89.9Confident86.5Confident41 Ų4124.1 Ų24.122%0.21517%0.169CC..Hα-helixtrans-87.4-35.8-174.6-71173000113.9V69 V71 P72 A97 M98 L99 L127 V130V69-L101 HydrophobicContact CG1-CD1 3.83Å; V71-L101 HydrophobicContact CG1-CD2 4.29Å; V71-L101 HydrophobicContact CG2-CD1 4.32Å; P72-L101 HydrophobicContact CG-CB 4.4Å; A97-L101 VanDerWaalsContact O-CB 3.29Å; A97-L101 WeakPolarHBondContact O-CB 3.03Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.86Å; M98-L101 PolarHBondContact O-N 2.87Å; L99-L101 PolarHBondContact O-N 3.21Å; L101-L127 HydrophobicContact CD2-CD2 4.09Å; L101-V130 HydrophobicContact CD2-CG1 4.41Å; L101-V130 HydrophobicContact CD2-CG2 3.91Å; L101-V130 HydrophobicContact CG-CG1 4.25Å; L101-V130 HydrophobicContact CG-CG2 4.45Å
102A85.1Confident86.1Confident35 Ų3527.1 Ų27.129%0.28919%0.193SC..Hα-helixtrans-109-8.5-176.300000113M98 A105 A106M98-A102 WeakPolarHBondContact O-CB 3.45Å; M98-A102 PolarHBondContact O-N 2.94Å; A102-A105 WeakPolarHBondContact O-CB 3.26Å; A102-A105 PolarHBondContact O-N 3.33Å; A102-A106 HydrophobicContact CB-CB 4.32Å
103G80.9Confident85.9Confident23 Ų2329.1 Ų29.124%0.23721%0.205CC..G310 helixtrans63.4-147.9-171.700000111.8L99 A105 A106L99-G103 WeakPolarHBondContact O-CA 3.27Å; L99-G103 PolarHBondContact O-N 3.38Å; G103-A105 PolarHBondContact O-N 2.77Å; G103-A105 VanDerWaalsContact O-N 3.09Å; G103-A106 WeakPolarHBondContact O-CB 3.29Å; G103-A106 PolarHBondContact O-N 2.69Å; G103-A106 VanDerWaalsContact O-N 3.1Å
104A70.6Confident85.6Confident82 Ų8229.1 Ų29.168%0.67821%0.205SC*.G310 helixtrans-59.7-18.7174.300000113.5A106A104-A106 PolarHBondContact O-N 3.45Å
105A68.8Low85.1Confident80 Ų8030 Ų3066%0.66122%0.215SC*.G310 helixtrans-79.111.617600000113.6A102 G103 C107A102-A105 WeakPolarHBondContact O-CB 3.26Å; A102-A105 PolarHBondContact O-N 3.33Å; G103-A105 PolarHBondContact O-N 2.77Å; G103-A105 VanDerWaalsContact O-N 3.09Å; A105-C107 PolarHBondContact O-N 3.37Å
106A73.1Confident84.7Confident2 Ų240 Ų402%0.01725%0.253CS..  trans-61.885.517100000110.5M98 L99 A102 G103 A104 C108 L109M98-A106 HydrophobicContact CB-CB 4.32Å; L99-A106 HydrophobicContact CD2-CB 4.1Å; A102-A106 HydrophobicContact CB-CB 4.32Å; G103-A106 WeakPolarHBondContact O-CB 3.29Å; G103-A106 PolarHBondContact O-N 2.69Å; G103-A106 VanDerWaalsContact O-N 3.1Å; A104-A106 PolarHBondContact O-N 3.45Å; A106-C108 PolarHBondContact O-N 3.17Å; A106-C108 VanDerWaalsContact O-N 3.16Å; A106-L109 HydrophobicContact CB-CD2 4.02Å
107C64.1Low84.3Confident89 Ų8944.3 Ų44.360%0.60128%0.276SS*.  trans-65.1-21.8-170.4176.10000113.4Q29 A105Q29-C107 WeakPolarHBondContact CB-O 3.45Å; A105-C107 PolarHBondContact O-N 3.37Å
108C80.9Confident84Confident39 Ų3944.7 Ų44.726%0.26428%0.278SS..EExtended strand (participates in β ladder)trans-141.7104.2-177.8-59.70000112.5Q29 A106Q29-C108 VanDerWaalsContact O-CA 3.3Å; Q29-C108 WeakPolarHBondContact O-CA 3.44Å; A106-C108 PolarHBondContact O-N 3.17Å; A106-C108 VanDerWaalsContact O-N 3.16Å
109L89.3Confident83.7Confident0 Ų047.2 Ų47.20%030%0.304CS..EExtended strand (participates in β ladder)trans-96.9160.1171.6-58.5179.3000110.5H28 Q29 T30 V31 D95 M98 L99 A106 F111 A115H28-L109 HydrophobicContact CB-CD1 4.29Å; Q29-L109 PolarHBondContact O-N 3Å; Q29-L109 VanDerWaalsContact O-N 3.15Å; T30-L109 CarbonylContact C-O 3.55Å; T30-L109 VanDerWaalsContact CA-O 3.23Å; T30-L109 WeakPolarHBondContact CA-O 3.39Å; V31-L109 PolarHBondContact N-O 2.74Å; V31-L109 VanDerWaalsContact N-O 3.08Å; D95-L109 HydrophobicContact CB-CD2 4.04Å; M98-L109 HydrophobicContact CB-CD2 4.19Å; L99-L109 HydrophobicContact CD2-CD1 4.24Å; L99-L109 HydrophobicContact CD2-CD2 4.42Å; L99-L109 HydrophobicContact CG-CD2 4.21Å; A106-L109 HydrophobicContact CB-CD2 4.02Å; L109-F111 WeakPolarHBondContact CB-O 3.37Å; L109-A115 HydrophobicContact CD1-CB 4.23Å
110N91.7Very high83.5Confident0 Ų047.6 Ų47.60%031%0.307CS..SBendtrans-73.7-40.4171.4-68.4-59.3000110.8V31 F53 R54 A91 D95V31-N110 HydrophobicContact CG2-CB 4.44Å; V31-N110 VanDerWaalsContact CG2-OD1 3.28Å; V31-N110 WeakPolarHBondContact CG2-OD1 3.4Å; F53-N110 HydrophobicContact CD1-CB 4.25Å; R54-N110 WeakPolarHBondContact CB-OD1 3.43Å; R54-N110 PolarHBondContact N-OD1 3.38Å; R54-N110 PolarHBondContact O-ND2 3.13Å; A91-N110 HydrophobicContact CB-CB 4.19Å; A91-N110 PolarHBondContact O-ND2 3.29Å; A91-N110 VanDerWaalsContact O-ND2 3.14Å; D95-N110 WeakPolarHBondContact OD1-CB 3.48Å; D95-N110 PolarHBondContact OD1-N 3.33Å; D95-N110 PolarHBondContact OD1-ND2 3.47Å; D95-N110 WeakPolarHBondContact OD2-CB 3.41Å; D95-N110 PolarHBondContact OD2-N 3.44Å
111F90.6Very high83.2Confident23 Ų2350 Ų5010%0.10132%0.322CS..  trans-124.7147.4-179.6-44-94.8000112.1F53 E88 A91 R92 D95 L109 D113 S114F53-F111 HydrophobicContact CD1-CZ 4.07Å; F53-F111 AromaticContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE1 3.64Å; F53-F111 HydrophobicContact CE1-CE2 4.42Å; F53-F111 AromaticContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CE1-CZ 3.5Å; F53-F111 HydrophobicContact CZ-CE1 4.1Å; F53-F111 AromaticContact CZ-CZ 3.94Å; F53-F111 HydrophobicContact CZ-CZ 3.94Å; E88-F111 HydrophobicContact CB-CZ 4.46Å; E88-F111 HydrophobicContact CG-CE1 4.27Å; E88-F111 HydrophobicContact CG-CE2 4.45Å; E88-F111 HydrophobicContact CG-CZ 3.76Å; A91-F111 HydrophobicContact CB-CE2 3.44Å; A91-F111 VanDerWaalsContact CB-CE2 3.44Å; A91-F111 HydrophobicContact CB-CZ 3.82Å; R92-F111 HydrophobicContact CG-CD2 4.26Å; R92-F111 HydrophobicContact CG-CE2 3.94Å; R92-F111 VanDerWaalsContact CZ-CG 3.43Å; D95-F111 WeakPolarHBondContact OD2-CD2 3.35Å; D95-F111 PolarHBondContact OD2-N 3.33Å; L109-F111 WeakPolarHBondContact CB-O 3.37Å; F111-D113 VanDerWaalsContact C-N 3.35Å; F111-D113 WeakPolarHBondContact CB-OD1 3.46Å; F111-S114 PolarHBondContact O-N 3.47Å
112A87Confident82.6Confident63 Ų6352.8 Ų52.852%0.52135%0.35SS..THydrogen-bonded Turntrans-73.4-33.6-177.600000111.7T30 S114T30-A112 HydrophobicContact CG2-CB 3.73Å; T30-A112 VanDerWaalsContact CG2-N 3.32Å; A112-S114 VanDerWaalsContact C-N 3.28Å; A112-S114 PolarHBondContact O-N 3.4Å
113D89.4Confident82.3Confident49 Ų4955.9 Ų55.926%0.26237%0.37SS..THydrogen-bonded Turntrans-81-0.9178.961.1-25.6000113.1R92 F111 A115 W116 L117R92-D113 IonicContact CZ-OD1 3.49Å; R92-D113 VanDerWaalsContact CZ-OD1 3.29Å; R92-D113 IonicContact CZ-OD2 4Å; R92-D113 IonicContact NH1-OD1 3.42Å; R92-D113 PolarHBondContact NH1-OD1 3.46Å; R92-D113 IonicContact NH1-OD2 2.72Å; R92-D113 PolarHBondContact NH1-OD2 3.36Å; R92-D113 IonicContact NH2-OD1 2.73Å; R92-D113 PolarHBondContact NH2-OD1 3.17Å; R92-D113 IonicContact NH2-OD2 3.03Å; R92-D113 PolarHBondContact NH2-OD2 3.43Å; F111-D113 VanDerWaalsContact C-N 3.35Å; F111-D113 WeakPolarHBondContact CB-OD1 3.46Å; D113-A115 VanDerWaalsContact C-N 3.29Å; D113-A115 PolarHBondContact O-N 3.01Å; D113-W116 HydrophobicContact CB-CZ2 4.09Å; D113-W116 PolarHBondContact O-NE1 2.73Å; D113-W116 VanDerWaalsContact O-NE1 3.17Å; D113-L117 HydrophobicContact CB-CD1 3.94Å; D113-L117 VanDerWaalsContact O-CB 3.26Å; D113-L117 WeakPolarHBondContact O-CB 3.44Å; D113-L117 WeakPolarHBondContact O-CD1 3.46Å; D113-L117 VanDerWaalsContact O-CG 3.27Å; D113-L117 WeakPolarHBondContact O-CG 3.46Å; D113-L117 PolarHBondContact O-N 3.48Å; D113-L117 WeakPolarHBondContact OD2-CD1 3.43Å
114S88.8Confident82.4Confident0 Ų056.2 Ų56.20%037%0.368CS..Hα-helixtrans-67.2-33.1176.5-69.10000112.2R92 D95 F111 A112 W116 L118R92-S114 PolarHBondContact NH1-OG 2.83Å; D95-S114 WeakPolarHBondContact CB-OG 3.49Å; D95-S114 WeakPolarHBondContact OD2-CB 3.48Å; D95-S114 PolarHBondContact OD2-OG 2.99Å; F111-S114 PolarHBondContact O-N 3.47Å; A112-S114 VanDerWaalsContact C-N 3.28Å; A112-S114 PolarHBondContact O-N 3.4Å; S114-W116 VanDerWaalsContact C-N 3.34Å; S114-W116 PolarHBondContact O-N 3.24Å; S114-L118 WeakPolarHBondContact O-CB 3Å; S114-L118 WeakPolarHBondContact O-CG 3.27Å; S114-L118 PolarHBondContact O-N 2.67Å
115A84.8Confident83.1Confident37 Ų3756.9 Ų56.931%0.30637%0.374SS..Hα-helixtrans-66.4-33.2-173.700000113.5L109 D113L109-A115 HydrophobicContact CD1-CB 4.23Å; D113-A115 VanDerWaalsContact C-N 3.29Å; D113-A115 PolarHBondContact O-N 3.01Å
116W84.4Confident84.1Confident212 Ų21255.1 Ų55.180%0.80336%0.357SS*.Hα-helixtrans-100.1-16.6-178.459.814.5000114.2D113 S114D113-W116 HydrophobicContact CB-CZ2 4.09Å; D113-W116 PolarHBondContact O-NE1 2.73Å; D113-W116 VanDerWaalsContact O-NE1 3.17Å; S114-W116 VanDerWaalsContact C-N 3.34Å; S114-W116 PolarHBondContact O-N 3.24Å
117L85.9Confident85Confident90 Ų9057.2 Ų57.247%0.47137%0.367SS..Hα-helixtrans-94.9-32.5-173.6-78.1175.8000110.3D113 F141D113-L117 HydrophobicContact CB-CD1 3.94Å; D113-L117 VanDerWaalsContact O-CB 3.26Å; D113-L117 WeakPolarHBondContact O-CB 3.44Å; D113-L117 WeakPolarHBondContact O-CD1 3.46Å; D113-L117 VanDerWaalsContact O-CG 3.27Å; D113-L117 WeakPolarHBondContact O-CG 3.46Å; D113-L117 PolarHBondContact O-N 3.48Å; D113-L117 WeakPolarHBondContact OD2-CD1 3.43Å; L117-F141 HydrophobicContact CD1-CE2 4.26Å
118L86.6Confident86.3Confident8 Ų856 Ų564%0.04236%0.364CS..SBendtrans-93.7109.8-176.7-57.2170.8000108.3R92 D95 A96 S114 V120 A137 F141R92-L118 HydrophobicContact CB-CD1 4.43Å; D95-L118 HydrophobicContact CB-CD1 4.3Å; A96-L118 HydrophobicContact CB-CD1 3.98Å; S114-L118 WeakPolarHBondContact O-CB 3Å; S114-L118 WeakPolarHBondContact O-CG 3.27Å; S114-L118 PolarHBondContact O-N 2.67Å; L118-V120 HydrophobicContact CB-CG2 3.95Å; L118-V120 PolarHBondContact O-N 2.87Å; L118-A137 HydrophobicContact CB-CB 4.3Å; L118-A137 HydrophobicContact CD2-CB 4.26Å; L118-F141 HydrophobicContact CD2-CB 4.17Å
119A83.9Confident87Confident87 Ų8758.2 Ų58.272%0.71937%0.371SS*.  trans-74.175.5175.600000110.6
120V86.8Confident87.1Confident30 Ų3058.4 Ų58.418%0.18237%0.372CS..  trans-94.7132.7-179.8-176.10000109.7A96 L99 A100 L118 A122 A137A96-V120 HydrophobicContact CB-CG2 3.74Å; L99-V120 HydrophobicContact CB-CB 4.42Å; L99-V120 HydrophobicContact CB-CG1 4.36Å; L99-V120 HydrophobicContact CB-CG2 4.5Å; A100-V120 HydrophobicContact CB-CG1 3.59Å; L118-V120 HydrophobicContact CB-CG2 3.95Å; L118-V120 PolarHBondContact O-N 2.87Å; V120-A122 PolarHBondContact O-N 2.96Å; V120-A137 HydrophobicContact CG2-CB 4.34Å
121P85Confident87.3Confident61 Ų6163.8 Ų63.840%0.39639%0.392SS..  trans-61138.1175.226.4-34.2000110.4S123 A133P121-S123 PolarHBondContact O-N 2.99Å; P121-S123 VanDerWaalsContact O-N 3.12Å; P121-A133 HydrophobicContact CG-CB 3.78Å
122A77Confident87.5Confident98 Ų9868.6 Ų68.681%0.8142%0.415SS*.SBendtrans-63.4-20.6-175.800000113.8V120V120-A122 PolarHBondContact O-N 2.96Å
123S78.9Confident87.8Confident100 Ų10066.1 Ų66.170%0.69939%0.394SS*.  trans-145.6123.5177.660.50000110.9P121P121-S123 PolarHBondContact O-N 2.99Å; P121-S123 VanDerWaalsContact O-N 3.12Å
124C82.8Confident88Confident30 Ų3063.9 Ų63.920%0.20338%0.382CS..  trans-105.4133.3165.5-60.30000109.1E129 V130C124-E129 HydrophobicContact CB-CB 4.04Å; C124-V130 HydrophobicContact CB-CG2 3.45Å; C124-V130 VanDerWaalsContact CB-CG2 3.45Å
125A84.4Confident88.3Confident97 Ų9766.5 Ų66.580%0.80240%0.404SS*.SBendtrans-79.6-32.4176.800000111.6E129A125-E129 PolarHBondContact N-OE2 2.86Å
126S90.8Very high88.8Confident43 Ų4367.9 Ų67.930%0.30141%0.406SS..SBendtrans-124.6157.1-175.673.90000113.6A128 E129 V130S126-A128 PolarHBondContact O-N 3.43Å; S126-E129 WeakPolarHBondContact CB-OE1 3.41Å; S126-E129 PolarHBondContact N-OE1 3.27Å; S126-E129 PolarHBondContact O-N 3.12Å; S126-E129 VanDerWaalsContact OG-CD 3.24Å; S126-E129 WeakPolarHBondContact OG-CG 3.49Å; S126-E129 PolarHBondContact OG-N 3.33Å; S126-E129 VanDerWaalsContact OG-N 3.12Å; S126-E129 PolarHBondContact OG-OE1 2.91Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.34Å
127L91.5Very high89.2Confident45 Ų4558 Ų5824%0.23637%0.369CS..Hα-helixtrans-66.6-21.6172.3-68178.3000112.6V71 L79 L101 R131V71-L127 HydrophobicContact CG2-CD2 3.89Å; L79-L127 HydrophobicContact CD1-CB 4.04Å; L79-L127 HydrophobicContact CD1-CD2 4.47Å; L79-L127 HydrophobicContact CD2-CD2 4.41Å; L101-L127 HydrophobicContact CD2-CD2 4.09Å; L127-R131 WeakPolarHBondContact O-CG 3.33Å; L127-R131 PolarHBondContact O-N 3.15Å
128A92.7Very high89.6Confident65 Ų6553.8 Ų53.854%0.53735%0.348SS..Hα-helixtrans-72.5-44.4175.800000110.8S126 V130 R131 H132S126-A128 PolarHBondContact O-N 3.43Å; A128-V130 VanDerWaalsContact C-N 3.31Å; A128-V130 PolarHBondContact O-N 2.82Å; A128-R131 WeakPolarHBondContact O-CB 3.5Å; A128-R131 PolarHBondContact O-N 2.94Å; A128-R131 VanDerWaalsContact O-N 3.08Å; A128-H132 PolarHBondContact O-N 3.11Å
129E93.7Very high89.9Confident85 Ų8558 Ų5840%0.39737%0.367SS..Hα-helixtrans-59.5-41.5172.4-74.7153.5-121.300111.8C124 A125 S126 R131 H132 A133C124-E129 HydrophobicContact CB-CB 4.04Å; A125-E129 PolarHBondContact N-OE2 2.86Å; S126-E129 WeakPolarHBondContact CB-OE1 3.41Å; S126-E129 PolarHBondContact N-OE1 3.27Å; S126-E129 PolarHBondContact O-N 3.12Å; S126-E129 VanDerWaalsContact OG-CD 3.24Å; S126-E129 WeakPolarHBondContact OG-CG 3.49Å; S126-E129 PolarHBondContact OG-N 3.33Å; S126-E129 VanDerWaalsContact OG-N 3.12Å; S126-E129 PolarHBondContact OG-OE1 2.91Å; E129-R131 VanDerWaalsContact C-N 3.26Å; E129-R131 PolarHBondContact O-N 2.72Å; E129-H132 PolarHBondContact O-N 3.05Å; E129-A133 WeakPolarHBondContact O-CB 3.43Å; E129-A133 PolarHBondContact O-N 3.45Å
130V93Very high90.3Very high3 Ų356.9 Ų56.92%0.01835%0.349CS..Hα-helixtrans-58.3-41.6174.81760000110.8L79 A97 A100 L101 C124 S126 A128 V134L79-V130 HydrophobicContact CD2-CB 4.18Å; L79-V130 HydrophobicContact CD2-CG1 3.65Å; A97-V130 HydrophobicContact CB-CG1 4.37Å; A100-V130 HydrophobicContact CB-CB 4.5Å; A100-V130 HydrophobicContact CB-CG1 3.96Å; A100-V130 HydrophobicContact CB-CG2 4.14Å; L101-V130 HydrophobicContact CD2-CG1 4.41Å; L101-V130 HydrophobicContact CD2-CG2 3.91Å; L101-V130 HydrophobicContact CG-CG1 4.25Å; L101-V130 HydrophobicContact CG-CG2 4.45Å; C124-V130 HydrophobicContact CB-CG2 3.45Å; C124-V130 VanDerWaalsContact CB-CG2 3.45Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.34Å; A128-V130 VanDerWaalsContact C-N 3.31Å; A128-V130 PolarHBondContact O-N 2.82Å; V130-V134 HydrophobicContact CG1-CG2 4.29Å; V130-V134 VanDerWaalsContact O-CB 3.27Å; V130-V134 WeakPolarHBondContact O-CB 3.39Å; V130-V134 WeakPolarHBondContact O-CG2 3.16Å; V130-V134 PolarHBondContact O-N 3.23Å
131R95Very high90.6Very high113 Ų11356.3 Ų56.343%0.42634%0.344SS..Hα-helixtrans-65.5-44.2177.3-74.5173.7168.7158.51.1112.1L79 W80 L127 A128 E129 V134 A135L79-R131 HydrophobicContact CD1-CG 3.85Å; L79-R131 VanDerWaalsContact CD1-NE 3.29Å; L79-R131 HydrophobicContact CD2-CG 4.37Å; L79-R131 HydrophobicContact CG-CG 4.24Å; W80-R131 PolarHBondContact O-NE 3.46Å; W80-R131 PolarHBondContact O-NH2 3.06Å; L127-R131 WeakPolarHBondContact O-CG 3.33Å; L127-R131 PolarHBondContact O-N 3.15Å; A128-R131 WeakPolarHBondContact O-CB 3.5Å; A128-R131 PolarHBondContact O-N 2.94Å; A128-R131 VanDerWaalsContact O-N 3.08Å; E129-R131 VanDerWaalsContact C-N 3.26Å; E129-R131 PolarHBondContact O-N 2.72Å; R131-V134 PolarHBondContact O-N 2.85Å; R131-A135 WeakPolarHBondContact O-CB 3.29Å; R131-A135 PolarHBondContact O-N 3.28Å
132H94.5Very high90.9Very high125 Ų12556.7 Ų56.758%0.57934%0.342SS*.Hα-helixtrans-63-52.4179.6-169.2-73.5000110.8A128 E129 V134 A135 D136A128-H132 PolarHBondContact O-N 3.11Å; E129-H132 PolarHBondContact O-N 3.05Å; H132-V134 VanDerWaalsContact C-N 3.25Å; H132-V134 PolarHBondContact O-N 2.95Å; H132-A135 WeakPolarHBondContact O-CA 3.17Å; H132-A135 WeakPolarHBondContact O-CB 3.45Å; H132-A135 PolarHBondContact O-N 3.1Å; H132-D136 IonicContact CE1-OD1 3.64Å; H132-D136 PolarHBondContact CE1-OD1 3.21Å; H132-D136 IonicContact CE1-OD2 3.45Å; H132-D136 PolarHBondContact CE1-OD2 3.34Å; H132-D136 IonicContact CG-OD2 3.27Å; H132-D136 IonicContact ND1-OD1 2.73Å; H132-D136 IonicContact ND1-OD2 3.62Å; H132-D136 PolarHBondContact ND1-OD2 2.98Å; H132-D136 VanDerWaalsContact O-CG 3.31Å; H132-D136 PolarHBondContact O-N 2.88Å
133A94Very high91.6Very high11 Ų1159 Ų599%0.09133%0.33CS..Hα-helixtrans-59.6-35.9178.700000113P121 E129 A137P121-A133 HydrophobicContact CG-CB 3.78Å; E129-A133 WeakPolarHBondContact O-CB 3.43Å; E129-A133 PolarHBondContact O-N 3.45Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.27Å; A133-A137 PolarHBondContact O-N 3.08Å
134V94.6Very high92Very high2 Ų261.2 Ų61.21%0.01233%0.329CS..Hα-helixtrans-68.4-39.2174.4169.60000111.5L81 A93 A96 A97 V130 R131 H132 V138L81-V134 HydrophobicContact CD1-CG1 4.41Å; L81-V134 HydrophobicContact CD2-CB 4.43Å; L81-V134 HydrophobicContact CD2-CG1 4.24Å; L81-V134 HydrophobicContact CD2-CG2 4.26Å; A93-V134 HydrophobicContact CB-CG1 3.81Å; A93-V134 WeakPolarHBondContact O-CG1 3.36Å; A96-V134 HydrophobicContact CB-CB 4.42Å; A96-V134 HydrophobicContact CB-CG1 4.35Å; A96-V134 HydrophobicContact CB-CG2 3.87Å; A97-V134 HydrophobicContact CB-CG2 3.77Å; V130-V134 HydrophobicContact CG1-CG2 4.29Å; V130-V134 VanDerWaalsContact O-CB 3.27Å; V130-V134 WeakPolarHBondContact O-CB 3.39Å; V130-V134 WeakPolarHBondContact O-CG2 3.16Å; V130-V134 PolarHBondContact O-N 3.23Å; R131-V134 PolarHBondContact O-N 2.85Å; H132-V134 VanDerWaalsContact C-N 3.25Å; H132-V134 PolarHBondContact O-N 2.95Å; V134-V138 HydrophobicContact CG1-CG2 4.41Å; V134-V138 WeakPolarHBondContact O-CB 3.41Å; V134-V138 WeakPolarHBondContact O-CG2 3.44Å; V134-V138 PolarHBondContact O-N 3.49Å; V134-V138 VanDerWaalsContact O-N 3.11Å
135A94.5Very high91.9Very high54 Ų5464.3 Ų64.345%0.44634%0.341SS..Hα-helixtrans-63.5-49.2176.900000110.7R131 H132 V138 E139R131-A135 WeakPolarHBondContact O-CB 3.29Å; R131-A135 PolarHBondContact O-N 3.28Å; H132-A135 WeakPolarHBondContact O-CA 3.17Å; H132-A135 WeakPolarHBondContact O-CB 3.45Å; H132-A135 PolarHBondContact O-N 3.1Å; A135-V138 PolarHBondContact O-N 3.34Å; A135-E139 WeakPolarHBondContact O-CB 3.38Å; A135-E139 PolarHBondContact O-N 3.38Å
136D94.3Very high91.3Very high66 Ų6665.2 Ų65.235%0.35334%0.336SS..Hα-helixtrans-58.6-51.3178.5-58.6-25.8000111.2H132 V138 E139 D140H132-D136 IonicContact CE1-OD1 3.64Å; H132-D136 PolarHBondContact CE1-OD1 3.21Å; H132-D136 IonicContact CE1-OD2 3.45Å; H132-D136 PolarHBondContact CE1-OD2 3.34Å; H132-D136 IonicContact CG-OD2 3.27Å; H132-D136 IonicContact ND1-OD1 2.73Å; H132-D136 IonicContact ND1-OD2 3.62Å; H132-D136 PolarHBondContact ND1-OD2 2.98Å; H132-D136 VanDerWaalsContact O-CG 3.31Å; H132-D136 PolarHBondContact O-N 2.88Å; D136-V138 VanDerWaalsContact C-N 3.28Å; D136-V138 PolarHBondContact O-N 3.19Å; D136-E139 PolarHBondContact O-N 3.14Å; D136-D140 WeakPolarHBondContact O-CB 3.38Å; D136-D140 PolarHBondContact O-N 2.96Å
137A93.6Very high89.7Confident4 Ų468.1 Ų68.13%0.03335%0.351CS..Hα-helixtrans-62.4-34.4-178.200000113.1L118 V120 A133 F141L118-A137 HydrophobicContact CB-CB 4.3Å; L118-A137 HydrophobicContact CD2-CB 4.26Å; V120-A137 HydrophobicContact CG2-CB 4.34Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.27Å; A133-A137 PolarHBondContact O-N 3.08Å; A137-F141 WeakPolarHBondContact O-CB 3.23Å; A137-F141 PolarHBondContact O-N 3.12Å; A137-F141 VanDerWaalsContact O-N 3.08Å
138V94Very high87.8Confident3 Ų369.4 Ų69.42%0.01836%0.363CS..Hα-helixtrans-76.4-38.8177174.50000111.1F84 A89 A93 V134 A135 D136 D140 F141 L142F84-V138 HydrophobicContact CD1-CG1 4.2Å; F84-V138 HydrophobicContact CE1-CB 4.46Å; F84-V138 HydrophobicContact CE1-CG1 3.74Å; A89-V138 HydrophobicContact CB-CG1 4.35Å; A93-V138 HydrophobicContact CB-CG2 3.78Å; V134-V138 HydrophobicContact CG1-CG2 4.41Å; V134-V138 WeakPolarHBondContact O-CB 3.41Å; V134-V138 WeakPolarHBondContact O-CG2 3.44Å; V134-V138 PolarHBondContact O-N 3.49Å; V134-V138 VanDerWaalsContact O-N 3.11Å; A135-V138 PolarHBondContact O-N 3.34Å; D136-V138 VanDerWaalsContact C-N 3.28Å; D136-V138 PolarHBondContact O-N 3.19Å; V138-D140 VanDerWaalsContact C-N 3.34Å; V138-F141 PolarHBondContact O-N 3.33Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 HydrophobicContact CG1-CG 4.37Å; V138-L142 WeakPolarHBondContact O-CB 3.26Å; V138-L142 VanDerWaalsContact O-CG 3.26Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.06Å
139E93.2Very high86Confident96 Ų9675.6 Ų75.645%0.44938%0.38SS..Hα-helixtrans-62-44.9174.9-173.1173.6177.800111A135 D136 F141 L142 R143A135-E139 WeakPolarHBondContact O-CB 3.38Å; A135-E139 PolarHBondContact O-N 3.38Å; D136-E139 PolarHBondContact O-N 3.14Å; E139-F141 PolarHBondContact O-N 2.73Å; E139-L142 PolarHBondContact O-N 3.47Å; E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.94Å; E139-R143 IonicContact OE1-CZ 3.84Å; E139-R143 IonicContact OE1-NE 3.01Å; E139-R143 IonicContact OE1-NH2 3.29Å; E139-R143 PolarHBondContact OE1-NH2 3.31Å
140D93.1Very high84Confident64 Ų6478.4 Ų78.434%0.34240%0.398SS..Hα-helixtrans-61.6-44.3175.5-72.4-24.4000111.5D136 V138 L142 R143 H144D136-D140 WeakPolarHBondContact O-CB 3.38Å; D136-D140 PolarHBondContact O-N 2.96Å; V138-D140 VanDerWaalsContact C-N 3.34Å; D140-L142 VanDerWaalsContact C-N 3.33Å; D140-L142 PolarHBondContact O-N 3.26Å; D140-R143 PolarHBondContact O-N 3.2Å; D140-R143 IonicContact OD1-NH1 3.93Å; D140-R143 PolarHBondContact OD1-NH1 3.09Å; D140-H144 PolarHBondContact O-N 3.11Å; D140-H144 VanDerWaalsContact O-N 3.08Å; D140-H144 PolarHBondContact O-ND1 2.89Å
141F92.1Very high82Confident18 Ų1883.9 Ų83.98%0.07943%0.427CS..Hα-helixtrans-58.1-45174.5173.4-98.5000112.3R92 L117 L118 A137 V138 E139 R143 H144 Q145R92-F141 HydrophobicContact CG-CD1 4.36Å; R92-F141 HydrophobicContact CG-CE1 3.96Å; R92-F141 HydrophobicContact CG-CZ 4.01Å; L117-F141 HydrophobicContact CD1-CE2 4.26Å; L118-F141 HydrophobicContact CD2-CB 4.17Å; A137-F141 WeakPolarHBondContact O-CB 3.23Å; A137-F141 PolarHBondContact O-N 3.12Å; A137-F141 VanDerWaalsContact O-N 3.08Å; V138-F141 PolarHBondContact O-N 3.33Å; E139-F141 PolarHBondContact O-N 2.73Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.42Å; F141-H144 PolarHBondContact O-N 3.31Å; F141-Q145 HydrophobicContact CD1-CG 4.45Å; F141-Q145 VanDerWaalsContact CE1-CD 3.43Å; F141-Q145 HydrophobicContact CE1-CG 4.08Å; F141-Q145 HydrophobicContact CE2-CG 4.43Å; F141-Q145 HydrophobicContact CZ-CG 4.11Å; F141-Q145 PolarHBondContact O-N 3.34Å; F141-Q145 VanDerWaalsContact O-N 3.08Å
142L91.1Very high80.1Confident69 Ų6982.9 Ų82.936%0.36144%0.444SS..Hα-helixtrans-64.7-38.8178.7-71.6172.1000111.7A89 V138 E139 D140 H144 Q145 V146A89-L142 HydrophobicContact CB-CD2 4.27Å; V138-L142 HydrophobicContact CG1-CD1 4.07Å; V138-L142 HydrophobicContact CG1-CG 4.37Å; V138-L142 WeakPolarHBondContact O-CB 3.26Å; V138-L142 VanDerWaalsContact O-CG 3.26Å; V138-L142 WeakPolarHBondContact O-CG 3.48Å; V138-L142 PolarHBondContact O-N 3.06Å; E139-L142 PolarHBondContact O-N 3.47Å; D140-L142 VanDerWaalsContact C-N 3.33Å; D140-L142 PolarHBondContact O-N 3.26Å; L142-H144 VanDerWaalsContact C-N 3.33Å; L142-H144 PolarHBondContact O-N 3.08Å; L142-Q145 PolarHBondContact O-N 2.78Å; L142-V146 VanDerWaalsContact O-CG2 3.29Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.9Å
143R91.2Very high78.3Confident147 Ų14785.2 Ų85.256%0.55546%0.459SS*.Hα-helixtrans-60.5-42.6174.7-72169.7178.8168.9-3111.8E139 D140 F141 Q145 V146E139-R143 WeakPolarHBondContact O-CG 3.47Å; E139-R143 PolarHBondContact O-N 2.94Å; E139-R143 IonicContact OE1-CZ 3.84Å; E139-R143 IonicContact OE1-NE 3.01Å; E139-R143 IonicContact OE1-NH2 3.29Å; E139-R143 PolarHBondContact OE1-NH2 3.31Å; D140-R143 PolarHBondContact O-N 3.2Å; D140-R143 IonicContact OD1-NH1 3.93Å; D140-R143 PolarHBondContact OD1-NH1 3.09Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 3.42Å; R143-Q145 VanDerWaalsContact C-N 3.33Å; R143-Q145 PolarHBondContact O-N 3.02Å; R143-V146 PolarHBondContact O-N 2.98Å
144H87.2Confident76Confident145 Ų14588.1 Ų88.167%0.67148%0.483SS*.Hα-helixtrans-69.8-29178.7-71.483.1000113.1D140 F141 L142 V146D140-H144 PolarHBondContact O-N 3.11Å; D140-H144 VanDerWaalsContact O-N 3.08Å; D140-H144 PolarHBondContact O-ND1 2.89Å; F141-H144 PolarHBondContact O-N 3.31Å; L142-H144 VanDerWaalsContact C-N 3.33Å; L142-H144 PolarHBondContact O-N 3.08Å; H144-V146 VanDerWaalsContact C-N 3.28Å; H144-V146 PolarHBondContact O-N 2.97Å
145Q82.4Confident73.5Confident96 Ų9692.8 Ų92.845%0.44952%0.522SS..Hα-helixtrans-72.1-19.6174.7-73.3-160.6-23.300113.8F141 L142 R143 V147F141-Q145 HydrophobicContact CD1-CG 4.45Å; F141-Q145 VanDerWaalsContact CE1-CD 3.43Å; F141-Q145 HydrophobicContact CE1-CG 4.08Å; F141-Q145 HydrophobicContact CE2-CG 4.43Å; F141-Q145 HydrophobicContact CZ-CG 4.11Å; F141-Q145 PolarHBondContact O-N 3.34Å; F141-Q145 VanDerWaalsContact O-N 3.08Å; L142-Q145 PolarHBondContact O-N 2.78Å; R143-Q145 VanDerWaalsContact C-N 3.33Å; R143-Q145 PolarHBondContact O-N 3.02Å; Q145-V147 PolarHBondContact O-N 2.94Å
146V70.4Confident71.4Confident116 Ų11695.8 Ų95.870%0.70354%0.535SS*.THydrogen-bonded Turntrans-84.47-176174.90000112.5L142 R143 H144 P148L142-V146 VanDerWaalsContact O-CG2 3.29Å; L142-V146 WeakPolarHBondContact O-CG2 3.33Å; L142-V146 PolarHBondContact O-N 2.9Å; R143-V146 PolarHBondContact O-N 2.98Å; H144-V146 VanDerWaalsContact C-N 3.28Å; H144-V146 PolarHBondContact O-N 2.97Å; V146-P148 WeakPolarHBondContact O-CD 3.49Å; V146-P148 VanDerWaalsContact O-N 3.11Å
147V58.6Low69.2Low103 Ų10398.8 Ų98.862%0.62456%0.558SS**SBendtrans-66.2111.2167.9-176.90000108.2Q145 E149Q145-V147 PolarHBondContact O-N 2.94Å; V147-E149 PolarHBondContact O-N 2.72Å
148P51.2Low66.9Low73 Ų73104.2 Ų104.247%0.47460%0.595SS.*  trans-65.6135.4-175.727.1-32.3000109.7V146 D150V146-P148 WeakPolarHBondContact O-CD 3.49Å; V146-P148 VanDerWaalsContact O-N 3.11Å; P148-D150 HydrophobicContact CB-CB 4.45Å; P148-D150 PolarHBondContact O-N 3.03Å
149E54.3Low64.8Low194 Ų194109.3 Ų109.391%0.90763%0.632SS**THydrogen-bonded Turntrans-67.122.5173.6-58.3-165.8124.300113.4V147V147-E149 PolarHBondContact O-N 2.72Å
150D51.8Low62.8Low144 Ų144110.7 Ų110.777%0.7765%0.649SS**THydrogen-bonded Turntrans-85.7-6.8177.5-72.4-56.5000113.4P148P148-D150 HydrophobicContact CB-CB 4.45Å; P148-D150 PolarHBondContact O-N 3.03Å
151D50.9Low60.6Low118 Ų118113.2 Ų113.263%0.63167%0.671SS**  trans-106.419.7-176.6-78.5-42.6000115.3L153 A154D151-L153 PolarHBondContact O-N 3.04Å; D151-A154 PolarHBondContact O-N 3.22Å
152A55.1Low58.5Low93 Ų93117.4 Ų117.477%0.76970%0.703SS**THydrogen-bonded Turntrans-70.113.517500000115
153L55.7Low56.9Low174 Ų174123.4 Ų123.491%0.91173%0.729SS**THydrogen-bonded Turntrans-126.83.7175.8-67.6179.8000115.4D151D151-L153 PolarHBondContact O-N 3.04Å
154A46Very low54.8Low71 Ų71124.2 Ų124.259%0.58775%0.745SS**  trans-110.366.6179.300000112.1D151 T156D151-A154 PolarHBondContact O-N 3.22Å; A154-T156 PolarHBondContact O-N 3.45Å
155A42.8Very low53Low100 Ų100121.1 Ų121.183%0.82675%0.751SS**  trans-71.491.3169.200000110.9
156T49.6Very low51.1Low118 Ų118123.5 Ų123.572%0.72477%0.767SS**  trans-149.3113.3155.552.70000110.7A154 S158A154-T156 PolarHBondContact O-N 3.45Å; T156-S158 PolarHBondContact O-N 3.08Å
157P47.9Very low50Low129 Ų129123.7 Ų123.784%0.83877%0.769SS**  trans-87.1102.7170.833-27.1000109.2
158S46.3Very low49.6Very low117 Ų117123.5 Ų123.582%0.81877%0.772SS**  trans-94.2105.4167.748.20000109.8T156T156-S158 PolarHBondContact O-N 3.08Å
159S49.9Very low49.5Very low111 Ų111127.8 Ų127.878%0.77679%0.791SS**  trans-62.2166.3172.3-66.80000113.7
160P50.5Low49Very low124 Ų124121.8 Ų121.881%0.80578%0.782SS**  trans-92.6152.6-15337-32.7000113.7
161S46.8Very low48.7Very low117 Ų117118.5 Ų118.582%0.81878%0.782SS**  trans-111.1109.8170.648.90000110.5
162S49.5Very low48.2Very low106 Ų106122 Ų12274%0.74179%0.794SS**  trans-69.6139.9168.340.30000112.4
163E56.9Low47.8Very low195 Ų195122.6 Ų122.691%0.91179%0.793SS**  trans-133.3114.9162.1-57.6-166.614900110
164D48.2Very low47.2Very low165 Ų165119 Ų11988%0.88278%0.782SS**  trans-69.7151.3175.1-71.1-77.1000112.9
165G48.1Very low47.3Very low79 Ų79120.9 Ų120.981%0.81479%0.791SS**  trans-171.267175.500000114
166N43.1Very low47.2Very low147 Ų147123.3 Ų123.379%0.78679%0.79SS**  trans-50.2146169.3-171.663.3000112.7
167T47.9Very low47.1Very low120 Ų120123.1 Ų123.174%0.73679%0.794SS**  171.1142.2114-570000111.7
168S50.2Low47.5Very low98 Ų98122.4 Ų122.469%0.68579%0.792SS**  trans-66.4157.4-172.547.80000119.6
169D47.6Very low48.3Very low163 Ų163122.4 Ų122.487%0.87279%0.789SS**  119.7130.9123-158.344.9000118.1
170G44.4Very low48.3Very low69 Ų69122.5 Ų122.571%0.71179%0.787SS**  trans87.712114100000120.3
171G44.6Very low48Very low75 Ų75123.4 Ų123.477%0.77379%0.791SS**  trans116.397.2133.500000118.4
172E42.2Very low48.2Very low190 Ų190121.6 Ų121.689%0.88879%0.79SS**  trans-24.4147.7151.160.6-16594.300119.6
173S46.5Very low48.1Very low106 Ų106121.6 Ų121.674%0.74180%0.797SS**  trans133.3126.6132.1-162.30000115.3
174S42.8Very low47.7Very low98 Ų98116 Ų11669%0.68578%0.779SS**  trans-30.9141.6166.142.30000117.5
175S47.7Very low48.1Very low112 Ų112114.1 Ų114.178%0.78378%0.776SS**  163.9123.1118.2-63.70000111.1
176D39.8Very low48.4Very low151 Ų151119.8 Ų119.881%0.80778%0.778SS**  trans40112.1130.2-158.652.7000120.3
177S49.3Very low48.8Very low113 Ų113120.1 Ų120.179%0.7978%0.775SS**  trans171134.9132.7-80.10000113.5
178S54.5Low48.9Very low115 Ų115121.9 Ų121.980%0.80477%0.773SS**  trans-71.9170.8-173.4-560000116.3
179P63.4Low48.8Very low116 Ų116123.6 Ų123.675%0.75378%0.775SS**  trans-105.6-178.5-16141.4-33.3000114.6
180P50.5Low49.3Very low113 Ų113120.5 Ų120.573%0.73476%0.761SS**  trans-126.5122.1153.934.1-19.3000114.8
181T44.5Very low49.8Very low144 Ų144126.2 Ų126.288%0.88377%0.767SS**  52.6110.2124-22.30000120.5
182G51.5Low50.4Low78 Ų78130 Ų13080%0.80477%0.769SS**  trans-153108.4160.500000110.4
183A46.9Very low51.1Low107 Ų107128.6 Ų128.688%0.88477%0.768SS**  trans-70.6136-165.200000114.9
184S47.8Very low51.5Low77 Ų77130.9 Ų130.954%0.53877%0.769SS.*  trans-127.1134.8156.9104.30000109.8F186S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.28Å
185P56.8Low52.1Low126 Ų126129.5 Ų129.582%0.81876%0.759SS**THydrogen-bonded Turntrans-87.523-163.9-5.426.3000115.3
186F53.3Low52.6Low197 Ų197132.9 Ų132.986%0.86476%0.755SS**THydrogen-bonded Turntrans-13317.7-176.6-86-81.1000115S184 F188S184-F186 VanDerWaalsContact C-N 3.31Å; S184-F186 PolarHBondContact O-N 3.28Å; F186-F188 PolarHBondContact O-N 3.48Å
187E52.9Low53.5Low155 Ų155131.3 Ų131.372%0.72475%0.746SS**  trans-85.2102.4169.9-100.6-175129.100111.2D189E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.73Å; E187-D189 VanDerWaalsContact O-N 3.07Å
188F48.7Very low53.9Low156 Ų156131 Ų13168%0.68474%0.735SS**  trans-75.182.6164.7-176.5-100000108.4F186 V190 F191F186-F188 PolarHBondContact O-N 3.48Å; F188-V190 HydrophobicContact CD1-CB 4.14Å; F188-V190 HydrophobicContact CD1-CG2 4.35Å; F188-V190 HydrophobicContact CD2-CG2 4.01Å; F188-V190 HydrophobicContact CE1-CB 3.67Å; F188-V190 HydrophobicContact CE1-CG2 4.12Å; F188-V190 HydrophobicContact CE2-CB 4.18Å; F188-V190 HydrophobicContact CE2-CG2 3.75Å; F188-V190 HydrophobicContact CG-CG2 4.31Å; F188-V190 HydrophobicContact CZ-CB 3.7Å; F188-V190 HydrophobicContact CZ-CG1 4.29Å; F188-V190 HydrophobicContact CZ-CG2 3.81Å; F188-V190 PolarHBondContact O-N 2.93Å; F188-V190 VanDerWaalsContact O-N 3.09Å; F188-F191 HydrophobicContact CD1-CD2 4.49Å; F188-F191 HydrophobicContact CD1-CE2 4.41Å; F188-F191 HydrophobicContact CE1-CD2 4.4Å; F188-F191 HydrophobicContact CE1-CE2 4.09Å
189D49.6Very low54.3Low135 Ų135131.6 Ų131.672%0.72273%0.725SS**  trans-8757.5-178.4-141.7-1.3000110.9E187E187-D189 VanDerWaalsContact C-N 3.26Å; E187-D189 PolarHBondContact O-N 2.73Å; E187-D189 VanDerWaalsContact O-N 3.07Å
190V57.4Low54.2Low98 Ų98132.7 Ų132.759%0.59472%0.715SS**  trans-12051.9-178.1-168.70000109.6F188F188-V190 HydrophobicContact CD1-CB 4.14Å; F188-V190 HydrophobicContact CD1-CG2 4.35Å; F188-V190 HydrophobicContact CD2-CG2 4.01Å; F188-V190 HydrophobicContact CE1-CB 3.67Å; F188-V190 HydrophobicContact CE1-CG2 4.12Å; F188-V190 HydrophobicContact CE2-CB 4.18Å; F188-V190 HydrophobicContact CE2-CG2 3.75Å; F188-V190 HydrophobicContact CG-CG2 4.31Å; F188-V190 HydrophobicContact CZ-CB 3.7Å; F188-V190 HydrophobicContact CZ-CG1 4.29Å; F188-V190 HydrophobicContact CZ-CG2 3.81Å; F188-V190 PolarHBondContact O-N 2.93Å; F188-V190 VanDerWaalsContact O-N 3.09Å
191F54.3Low54.8Low188 Ų188129.8 Ų129.883%0.82570%0.701SS**SBendtrans-134.50177.9-93.8-76.1000115.8F188F188-F191 HydrophobicContact CD1-CD2 4.49Å; F188-F191 HydrophobicContact CD1-CE2 4.41Å; F188-F191 HydrophobicContact CE1-CD2 4.4Å; F188-F191 HydrophobicContact CE1-CE2 4.09Å
192N57.1Low55.7Low154 Ų154126.7 Ų126.782%0.82469%0.685SS**SBendtrans-113.92.4-169.2-148.435.1000116.6
193D57.5Low56.4Low161 Ų161128 Ų12886%0.86167%0.673SS**SBendtrans-140.829.8-173.8-145.116.5000115.9
194M54.5Low57Low155 Ų155125.8 Ų125.876%0.76465%0.654SS**SBendtrans-134.5101163.2-83.4-154.1153.800110.9W196 L198M194-W196 PolarHBondContact O-N 3.41Å; M194-L198 HydrophobicContact CE-CD2 4.34Å
195S55.6Low57.6Low68 Ų68129.5 Ų129.548%0.47666%0.663SS.*  trans-34.1118.1164.4153.90000110.7D197 L198S195-D197 PolarHBondContact O-N 3.47Å; S195-D197 VanDerWaalsContact OG-CB 3.29Å; S195-D197 WeakPolarHBondContact OG-CB 3.29Å; S195-D197 PolarHBondContact OG-N 3.24Å; S195-D197 PolarHBondContact OG-OD2 2.87Å; S195-D197 VanDerWaalsContact OG-OD2 3.09Å; S195-L198 PolarHBondContact O-N 2.91Å
196W58.8Low57.8Low184 Ų184126 Ų12670%0.69765%0.65SS**Hα-helixtrans-47.5-25.2170.9178.1-105.2000112.9M194 H199 Y200M194-W196 PolarHBondContact O-N 3.41Å; W196-H199 PolarHBondContact O-N 3.23Å; W196-Y200 HydrophobicContact CD2-CD2 4.36Å; W196-Y200 HydrophobicContact CD2-CE2 4.29Å; W196-Y200 AromaticContact CE2-CD2 3.9Å; W196-Y200 AromaticContact CE2-CE2 3.47Å; W196-Y200 VanDerWaalsContact CE2-CE2 3.47Å; W196-Y200 HydrophobicContact CH2-CE2 4.09Å; W196-Y200 HydrophobicContact CZ2-CD2 4.26Å; W196-Y200 AromaticContact CZ2-CE2 3.41Å; W196-Y200 HydrophobicContact CZ2-CE2 3.41Å; W196-Y200 VanDerWaalsContact CZ2-CE2 3.41Å; W196-Y200 AromaticContact NE1-CD2 3.8Å; W196-Y200 AromaticContact NE1-CE2 3.61Å; W196-Y200 PolarHBondContact O-N 3.36Å
197D57.6Low58.2Low118 Ų118124 Ų12463%0.63165%0.648SS**Hα-helixtrans-71.7-31.7179.1-46.6-58.1000112.8S195 A201S195-D197 PolarHBondContact O-N 3.47Å; S195-D197 VanDerWaalsContact OG-CB 3.29Å; S195-D197 WeakPolarHBondContact OG-CB 3.29Å; S195-D197 PolarHBondContact OG-N 3.24Å; S195-D197 PolarHBondContact OG-OD2 2.87Å; S195-D197 VanDerWaalsContact OG-OD2 3.09Å; D197-A201 PolarHBondContact O-N 3.17Å; D197-A201 VanDerWaalsContact O-N 3.17Å
198L59.4Low58.6Low107 Ų107124.2 Ų124.256%0.5665%0.653SS**Hα-helixtrans-74.2-31.9177.5-166.761.8000111.8M194 S195 A201 S202M194-L198 HydrophobicContact CE-CD2 4.34Å; S195-L198 PolarHBondContact O-N 2.91Å; L198-A201 PolarHBondContact O-N 3.35Å; L198-S202 PolarHBondContact O-N 3.27Å; L198-S202 VanDerWaalsContact O-N 3.14Å
199H61.5Low59.5Low127 Ų127122.5 Ų122.559%0.58866%0.655SS**Hα-helixtrans-72.1-33.5178.3-148.5-62.4000112.1W196 L203W196-H199 PolarHBondContact O-N 3.23Å; H199-L203 WeakPolarHBondContact O-CG 3.15Å; H199-L203 PolarHBondContact O-N 3.46Å
200Y62.6Low60.4Low139 Ų139124 Ų12455%0.54566%0.658SS.*Hα-helixtrans-73-36.7171.9-99-90.5000112.9W196 S202 L203 A204W196-Y200 HydrophobicContact CD2-CD2 4.36Å; W196-Y200 HydrophobicContact CD2-CE2 4.29Å; W196-Y200 AromaticContact CE2-CD2 3.9Å; W196-Y200 AromaticContact CE2-CE2 3.47Å; W196-Y200 VanDerWaalsContact CE2-CE2 3.47Å; W196-Y200 HydrophobicContact CH2-CE2 4.09Å; W196-Y200 HydrophobicContact CZ2-CD2 4.26Å; W196-Y200 AromaticContact CZ2-CE2 3.41Å; W196-Y200 HydrophobicContact CZ2-CE2 3.41Å; W196-Y200 VanDerWaalsContact CZ2-CE2 3.41Å; W196-Y200 AromaticContact NE1-CD2 3.8Å; W196-Y200 AromaticContact NE1-CE2 3.61Å; W196-Y200 PolarHBondContact O-N 3.36Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 2.73Å; Y200-L203 PolarHBondContact O-N 2.61Å; Y200-A204 PolarHBondContact O-N 2.81Å; Y200-A204 VanDerWaalsContact O-N 3.13Å
201A62.6Low61Low52 Ų52124.2 Ų124.243%0.4366%0.661SS.*Hα-helixtrans-63.8-35.2175.300000112.4D197 L198 A204D197-A201 PolarHBondContact O-N 3.17Å; D197-A201 VanDerWaalsContact O-N 3.17Å; L198-A201 PolarHBondContact O-N 3.35Å; A201-A204 PolarHBondContact O-N 3.28Å
202S63.6Low61.8Low78 Ų78121.4 Ų121.455%0.54566%0.662SS.*Hα-helixtrans-71.9-34.7176.2-166.50000112.9L198 Y200 A204 Q205L198-S202 PolarHBondContact O-N 3.27Å; L198-S202 VanDerWaalsContact O-N 3.14Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 2.73Å; S202-A204 VanDerWaalsContact C-N 3.34Å; S202-Q205 PolarHBondContact O-N 3.37Å
203L65.6Low62Low106 Ų106118.5 Ų118.556%0.55565%0.654SS**Hα-helixtrans-68.5-31.8173.4-72.2173000112.8H199 Y200 Q205 G206H199-L203 WeakPolarHBondContact O-CG 3.15Å; H199-L203 PolarHBondContact O-N 3.46Å; Y200-L203 PolarHBondContact O-N 2.61Å; L203-Q205 VanDerWaalsContact C-N 3.25Å; L203-Q205 PolarHBondContact O-N 3.27Å; L203-G206 PolarHBondContact O-N 3.48Å
204A60.5Low62.1Low60 Ų60115.5 Ų115.550%0.49665%0.651SS.*Hα-helixtrans-67.5-24176.200000113.2Y200 A201 S202 G206Y200-A204 PolarHBondContact O-N 2.81Å; Y200-A204 VanDerWaalsContact O-N 3.13Å; A201-A204 PolarHBondContact O-N 3.28Å; S202-A204 VanDerWaalsContact C-N 3.34Å; A204-G206 VanDerWaalsContact C-N 3.33Å
205Q58.8Low62Low156 Ų156113.4 Ų113.473%0.72965%0.647SS**Hα-helixtrans-75-20.5176.7-67.8-176.4-14.400113.3S202 L203S202-Q205 PolarHBondContact O-N 3.37Å; L203-Q205 VanDerWaalsContact C-N 3.25Å; L203-Q205 PolarHBondContact O-N 3.27Å
206G61.7Low61.5Low53 Ų53116.3 Ų116.355%0.54666%0.662SS.*THydrogen-bonded Turntrans-86.9-12.5175.600000114.7L203 A204 L208L203-G206 PolarHBondContact O-N 3.48Å; A204-G206 VanDerWaalsContact C-N 3.33Å; G206-L208 VanDerWaalsContact C-N 3.35Å
207L62.5Low61.2Low155 Ų155111.6 Ų111.681%0.81266%0.662SS**SBendtrans-88.4-1.2178.6-84156.8000113.4V209L207-V209 VanDerWaalsContact C-N 3.3Å; L207-V209 PolarHBondContact O-N 3.08Å
208L61.1Low60.3Low159 Ų159114.9 Ų114.983%0.83267%0.671SS**  trans-96.438.4173.5-155.773.8000111.5G206 E210G206-L208 VanDerWaalsContact C-N 3.35Å; L208-E210 PolarHBondContact O-N 3.46Å
209V67.7Low59.8Low119 Ų119117.3 Ų117.372%0.72168%0.681SS**  trans-85.9105.8165.2178.60000106.4L207L207-V209 VanDerWaalsContact C-N 3.3Å; L207-V209 PolarHBondContact O-N 3.08Å
210E68.9Low59.2Low167 Ų167118.2 Ų118.278%0.7869%0.691SS**PPolyproline II helixtrans-53.7126.2172-168.6175.6172.900108.5L208L208-E210 PolarHBondContact O-N 3.46Å
211P69.4Low58.6Low102 Ų102119.9 Ų119.966%0.66270%0.703SS**PPolyproline II helixtrans-58.3140.5175.925.6-33.1000108.4S213P211-S213 PolarHBondContact O-N 2.68Å
212P70.7Confident57.9Low130 Ų130121 Ų12184%0.84472%0.72SS**PPolyproline II helixtrans-52.7121.8178.720.3-31.2000109.7A214P212-A214 PolarHBondContact O-N 3.34Å
213S61.8Low57.5Low93 Ų93127.2 Ų127.265%0.6574%0.738SS**PPolyproline II helixtrans-57.3127.4-179.2-1770000109.7P211 V215P211-S213 PolarHBondContact O-N 2.68Å; S213-V215 PolarHBondContact O-N 3.07Å
214A58.8Low57.1Low98 Ų98126.6 Ų126.681%0.8175%0.748SS**  trans-70.864.5171.400000109.7P212 T216P212-A214 PolarHBondContact O-N 3.34Å; A214-T216 PolarHBondContact O-N 3.09Å; A214-T216 VanDerWaalsContact O-N 3.1Å
215V53.4Low57Low111 Ų111131.6 Ų131.667%0.67377%0.766SS**  trans-75.5102.2169.4171.20000107.2S213 A217S213-V215 PolarHBondContact O-N 3.07Å; V215-A217 PolarHBondContact O-N 3.47Å
216T44.9Very low57.6Low129 Ų129129.6 Ų129.679%0.79176%0.764SS**  trans-44.697159.953.20000111.1A214A214-T216 PolarHBondContact O-N 3.09Å; A214-T216 VanDerWaalsContact O-N 3.1Å
217A51.8Low58Low84 Ų84131.5 Ų131.569%0.69477%0.767SS**  trans-122.585.1157.600000105.5V215V215-A217 PolarHBondContact O-N 3.47Å
218F39.8Very low58.2Low187 Ų187132.2 Ų132.282%0.8277%0.771SS**  41.684.499.5-114-86.4000111.1
219M49.2Very low58.8Low159 Ų159136.1 Ų136.178%0.78378%0.775SS**  trans159.2120.7134-80.6-77.5138.700109.7
220D48.5Very low58.6Low146 Ų146134 Ų13478%0.78177%0.765SS**  trans80121.5148.3-12732.9000121.3
221E49.4Very low58.2Low173 Ų173140.6 Ų140.681%0.80879%0.785SS**  trans66.877.5148.4-66.4-90.6129.700119.5
222G48Very low57.6Low77 Ų77142.6 Ų142.679%0.79479%0.791SS**  35.386.5128.500000120.3
223F55.3Low56.9Low208 Ų208143.2 Ų143.291%0.91279%0.789SS**  trans-145.2126.6147-121.8-94.4000109D225F223-D225 PolarHBondContact O-N 2.82Å
224A57.5Low56.7Low93 Ų93146 Ų14677%0.76980%0.796SS**  trans-67.9115.3-173.100000111.6V226A224-V226 PolarHBondContact O-N 3.18Å
225D57.4Low56.6Low164 Ų164148.8 Ų148.888%0.87780%0.795SS**  trans-72.2113.2168.2-95.3-32.8000110.2F223F223-D225 PolarHBondContact O-N 2.82Å
226V71.6Confident56.8Low114 Ų114151.2 Ų151.269%0.69180%0.803SS**  trans-101.5116.6165.3-176.70000107.3A224 L228A224-V226 PolarHBondContact O-N 3.18Å; V226-L228 PolarHBondContact O-N 3.42Å
227P71.3Confident57.5Low93 Ų93152.7 Ų152.760%0.60480%0.804SS**  trans-64127-179.923.1-30.3000110.3W229 S230P227-W229 PolarHBondContact O-N 2.95Å; P227-S230 PolarHBondContact O-N 3.05Å; P227-S230 PolarHBondContact O-OG 3.45Å
228L66.7Low58Low170 Ų170157.6 Ų157.689%0.8981%0.812SS**THydrogen-bonded Turntrans-560.7-175.1-172.360.1000115.5V226V226-L228 PolarHBondContact O-N 3.42Å
229W73.8Confident59.4Low241 Ų241155.3 Ų155.391%0.91381%0.811SS**THydrogen-bonded Turntrans-115.914.1-169.7-60.868.8000113.4P227P227-W229 PolarHBondContact O-N 2.95Å
230S63.1Low60.2Low74 Ų74155 Ų15552%0.51781%0.813SS.*  trans-107.281.617954.20000112.1P227P227-S230 PolarHBondContact O-N 3.05Å; P227-S230 PolarHBondContact O-OG 3.45Å
231Y59.8Low61.3Low307 Ų307155.8 Ų155.8100%1.20482%0.816SS**  trans-147.20162.8-105.1-76.4000111.2

Retrieved 231 of 231 residues in 92.8 ms (Link to these results)